CID 11203400
Mayolene-16
Structural Information
- Molecular Formula
- C34H60O4
- SMILES
- CCCCCCCCCCCCCCCC(=O)O[C@H](/C=C\CCCCCCCC(=O)O)/C=C\C/C=C\CC
- InChI
- InChI=1S/C34H60O4/c1-3-5-7-9-10-11-12-13-14-15-19-23-27-31-34(37)38-32(28-24-20-8-6-4-2)29-25-21-17-16-18-22-26-30-33(35)36/h6,8,24-25,28-29,32H,3-5,7,9-23,26-27,30-31H2,1-2H3,(H,35,36)/b8-6-,28-24-,29-25-/t32-/m0/s1
- InChIKey
- XHGMWSVXYAFIMA-IPBGHUMISA-N
- Compound name
- (9Z,11R,12Z,15Z)-11-hexadecanoyloxyoctadeca-9,12,15-trienoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 533.45644 | 239.8 |
[M+Na]+ | 555.43838 | 247.0 |
[M-H]- | 531.44188 | 228.1 |
[M+NH4]+ | 550.48298 | 242.0 |
[M+K]+ | 571.41232 | 246.5 |
[M+H-H2O]+ | 515.44642 | 240.2 |
[M+HCOO]- | 577.44736 | 244.9 |
[M+CH3COO]- | 591.46301 | 250.6 |
[M+Na-2H]- | 553.42383 | 226.3 |
[M]+ | 532.44861 | 238.9 |
[M]- | 532.44971 | 238.9 |
Literature stripe
Patent stripe
No patent data available for this compound.