CID 134812330
Ohddia-pc
Structural Information
- Molecular Formula
- C38H71NO11P
- SMILES
- CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC(/C=C/C(=O)O)O
- InChI
- InChI=1S/C38H70NO11P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26-37(43)47-32-35(33-49-51(45,46)48-31-30-39(2,3)4)50-38(44)27-24-21-18-19-22-25-34(40)28-29-36(41)42/h12-13,28-29,34-35,40H,5-11,14-27,30-33H2,1-4H3,(H-,41,42,45,46)/p+1/b13-12-,29-28+/t34?,35-/m1/s1
- InChIKey
- DGDWIVFLCYBTSL-GNMLPVOKSA-O
- Compound name
- 2-[[(2R)-2-[(E)-11-carboxy-9-hydroxyundec-10-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 749.48378 | 272.8 |
[M+Na]+ | 771.46572 | 273.8 |
[M-H]- | 747.46922 | 273.3 |
[M+NH4]+ | 766.51032 | 282.4 |
[M+K]+ | 787.43966 | 274.9 |
[M+H-H2O]+ | 731.47376 | 257.6 |
[M+HCOO]- | 793.47470 | 272.3 |
[M+CH3COO]- | 807.49035 | 276.1 |
[M+Na-2H]- | 769.45117 | 253.1 |
[M]+ | 748.47595 | 270.8 |
[M]- | 748.47705 | 270.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.