CID 42607334
5,13,16-trimethyloctacosane
Structural Information
- Molecular Formula
- C31H64
- SMILES
- CCCCCCCCCCCCC(C)CCC(C)CCCCCCCC(C)CCCC
- InChI
- InChI=1S/C31H64/c1-6-8-10-11-12-13-14-15-17-21-25-30(4)27-28-31(5)26-22-19-16-18-20-24-29(3)23-9-7-2/h29-31H,6-28H2,1-5H3
- InChIKey
- FXPWKBBSKOIRTE-UHFFFAOYSA-N
- Compound name
- 5,13,16-trimethyloctacosane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 437.50808 | 233.5 |
[M+Na]+ | 459.49002 | 229.8 |
[M-H]- | 435.49352 | 229.2 |
[M+NH4]+ | 454.53462 | 234.0 |
[M+K]+ | 475.46396 | 224.3 |
[M+H-H2O]+ | 419.49806 | 224.9 |
[M+HCOO]- | 481.49900 | 237.4 |
[M+CH3COO]- | 495.51465 | 243.9 |
[M+Na-2H]- | 457.47547 | 223.3 |
[M]+ | 436.50025 | 242.3 |
[M]- | 436.50135 | 242.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.