CID 52922163
Pc(13:0/14:1(9z))
Structural Information
- Molecular Formula
- C35H69NO8P
- SMILES
- CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCC
- InChI
- InChI=1S/C35H68NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)44-33(32-43-45(39,40)42-30-29-36(3,4)5)31-41-34(37)27-25-23-21-19-17-15-13-11-9-7-2/h12,14,33H,6-11,13,15-32H2,1-5H3/p+1/b14-12-/t33-/m1/s1
- InChIKey
- DKMXYDAVFKOCJE-HUIXSENASA-O
- Compound name
- 2-[hydroxy-[(2R)-2-[(Z)-tetradec-9-enoyl]oxy-3-tridecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 663.48338 | 264.0 |
[M+Na]+ | 685.46532 | 267.1 |
[M-H]- | 661.46882 | 260.4 |
[M+NH4]+ | 680.50992 | 272.4 |
[M+K]+ | 701.43926 | 266.9 |
[M+H-H2O]+ | 645.47336 | 249.8 |
[M+HCOO]- | 707.47430 | 272.0 |
[M+CH3COO]- | 721.48995 | 268.7 |
[M+Na-2H]- | 683.45077 | 245.7 |
[M]+ | 662.47555 | 262.0 |
[M]- | 662.47665 | 262.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.