CID 5313470
1-oleoyl-2-palmitoyl lecithin
Structural Information
- Molecular Formula
- C42H83NO8P
- SMILES
- CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
- InChI
- InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/p+1/b21-20-
- InChIKey
- RRVPPYNAZJRZFR-MRCUWXFGSA-O
- Compound name
- 2-[[2-hexadecanoyloxy-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]+ | 761.59291 | 286.2 |
[M+Na]+ | 783.57485 | 288.4 |
[M+NH4]+ | 778.61945 | 262.9 |
[M+K]+ | 799.54879 | 293.5 |
[M-H]- | 759.57835 | 280.3 |
[M+Na-2H]- | 781.56030 | 273.8 |
[M]+ | 760.58508 | 286.1 |
[M]- | 760.58618 | 286.1 |
Literature stripe
No literature data available for this compound.