CID 52921731
Phthioceranic acid (c34)
Structural Information
- Molecular Formula
- C34H68O2
- SMILES
- CCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C(=O)O
- InChI
- InChI=1S/C34H68O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(2)23-29(3)24-30(4)25-31(5)26-32(6)27-33(7)34(35)36/h28-33H,8-27H2,1-7H3,(H,35,36)/t28-,29-,30-,31-,32-,33-/m0/s1
- InChIKey
- XRJAKLNQHAZXDG-FSJACQRISA-N
- Compound name
- (2S,4S,6S,8S,10S,12S)-2,4,6,8,10,12-hexamethyloctacosanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 509.52922 | 240.4 |
[M+Na]+ | 531.51116 | 248.1 |
[M-H]- | 507.51466 | 230.3 |
[M+NH4]+ | 526.55576 | 246.2 |
[M+K]+ | 547.48510 | 251.9 |
[M+H-H2O]+ | 491.51920 | 242.6 |
[M+HCOO]- | 553.52014 | 232.6 |
[M+CH3COO]- | 567.53579 | 255.4 |
[M+Na-2H]- | 529.49661 | 228.4 |
[M]+ | 508.52139 | 240.6 |
[M]- | 508.52249 | 240.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.