CID 87980423
Schembl6358460
Structural Information
- Molecular Formula
- C27H53O7P
- SMILES
- CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O
- InChI
- InChI=1S/C27H53O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(29)33-24-26(28)25-34-35(30,31)32/h9-10,26,28H,2-8,11-25H2,1H3,(H2,30,31,32)/b10-9-
- InChIKey
- LUOJYKBTQKAEPP-KTKRTIGZSA-N
- Compound name
- (2-hydroxy-3-phosphonooxypropyl) (Z)-tetracos-15-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 521.36018 | 228.6 |
[M+Na]+ | 543.34212 | 230.2 |
[M-H]- | 519.34562 | 218.8 |
[M+NH4]+ | 538.38672 | 228.0 |
[M+K]+ | 559.31606 | 227.9 |
[M+H-H2O]+ | 503.35016 | 218.3 |
[M+HCOO]- | 565.35110 | 234.7 |
[M+CH3COO]- | 579.36675 | 240.7 |
[M+Na-2H]- | 541.32757 | 211.2 |
[M]+ | 520.35235 | 224.8 |
[M]- | 520.35345 | 224.8 |