CID 54306728
15-methyltriacontane
Structural Information
- Molecular Formula
- C31H64
- SMILES
- CCCCCCCCCCCCCCCC(C)CCCCCCCCCCCCCC
- InChI
- InChI=1S/C31H64/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-31(3)29-27-25-23-21-19-17-15-13-11-9-7-5-2/h31H,4-30H2,1-3H3
- InChIKey
- XFBQTKNSZUZQFV-UHFFFAOYSA-N
- Compound name
- 15-methyltriacontane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 437.50808 | 231.5 |
[M+Na]+ | 459.49002 | 228.1 |
[M-H]- | 435.49352 | 227.0 |
[M+NH4]+ | 454.53462 | 232.4 |
[M+K]+ | 475.46396 | 221.7 |
[M+H-H2O]+ | 419.49806 | 222.5 |
[M+HCOO]- | 481.49900 | 243.6 |
[M+CH3COO]- | 495.51465 | 242.6 |
[M+Na-2H]- | 457.47547 | 223.9 |
[M]+ | 436.50025 | 241.6 |
[M]- | 436.50135 | 241.6 |