An Analytical Reference Standard
Related Products
Isomer(s)
11565XLR11 ISO60059XLR11 (CRM)
Technical Support & Resources

Visit our FAQ

Contact Us

Toll Free Phone (USA and Canada Only): (888) 526-5351
Direct Phone: (734) 975-3888

Request Technical Support

Technical Support Request

To streamline the process attach the appropriate questionnaire to your inquiry.

Download IHC QuestionnaireDownload WB Questionnaire

View Our Privacy Statement for details on how we use and protect your data. In addition, this site is protected by hCaptcha and its Privacy Policy and Terms of Service apply.

XLR11 Degradant

Item No. 14055

Product Insert (PDF)GC-MS (PDF)Safety Data Sheet (SDS) (PDF)
Synonyms
Synonyms
  • 5-FUR-144 Degradant
  • TCMP-2201 thermal isomer
Technical Information
Formal Name
1-[1-(5-fluoropentyl)-1H-indol-3-yl]-3,3,4-trimethyl-4-penten-1-one
CAS Number
1616469-09-0
Molecular Formula
C21H28FNO
Formula Weight
329.5
Purity
≥98%
Formulation
A 10 mg/ml solution in methanol
Solubility(Learn about Variance in Solubility)
DMF: 30 mg/mlDMSO: 30 mg/mlEthanol: 30 mg/mlEthanol:PBS (pH 7.2) (1:4): 0.2 mg/ml
λmax
247, 304 nm
SMILES
O=C(C1=CN(CCCCCF)C2=C1C=CC=C2)CC(C)(C)C(C)=C
InChi Code
InChI=1S/C21H28FNO/c1-16(2)21(3,4)14-20(24)18-15-23(13-9-5-8-12-22)19-11-7-6-10-17(18)19/h6-7,10-11,15H,1,5,8-9,12-14H2,2-4H3
InChi Key
BEZVSTOQIZTNCK-UHFFFAOYSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
Recommended Products

Certificates of Analysis & Batch Specific Data

Provide batch numbers separated by commas to download or request available product inserts, QC sheets, certificates of analysis, data packs, and GC-MS data.

Download most recent Certificate of Analysis for this product

    1 mg

    $129

    Add

    5 mg

    $351

    Add

    10 mg

    $636

    Add
    Cayman Chemical
    Cayman Spectral Library

    Our free, searchable, GC-MS spectral database contains 70eV EI mass spectral data of 2,000+ of Cayman’s forensic drug standards.

    DOWNLOAD THE DATABASE
    Product Description

    XLR11 degradant is a common impurity observed during GC-MS analysis of samples containing XLR11. The opened ring of the degradant is presumed to be produced during heating of XLR11. This structure gives rise to a prominent fragment ion that is 15 amu greater than the base peak of XLR11. This pattern is consistent with McLafferty rearrangement of the degradant which does not occur with the parent compound.1

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. McLafferty, F.W. Mass spectrometric analysis. Molecular rearrangements. Anal. Chem. 31(1), 82-87 (1959).

    Product Citations

    Gamage, T.F., Farquhar, C.E., Lefever, T.W., et al. The great divide: Separation between in vitro and in vivo effects of PSNCBAM-based CB1 receptor allosteric modulators. Neuropharmacology 125, 365-375 (2017).

    Thomas, B.F., Lefever, T.W., Cortes, R.A., et al. Thermolytic degradation of synthetic cannabinoids: Chemical exposures and pharmacological consequences. J. Pharmacol. Exp. Ther. 361(1), 162-171 (2017).