CID 52926079
Ps(12:0/14:0)
Structural Information
- Molecular Formula
- C32H62NO10P
- SMILES
- CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)OC[C@@H](C(=O)O)N
- InChI
- InChI=1S/C32H62NO10P/c1-3-5-7-9-11-13-14-16-18-20-22-24-31(35)43-28(26-41-44(38,39)42-27-29(33)32(36)37)25-40-30(34)23-21-19-17-15-12-10-8-6-4-2/h28-29H,3-27,33H2,1-2H3,(H,36,37)(H,38,39)/t28-,29+/m1/s1
- InChIKey
- GLMVRWSEXIQXQH-WDYNHAJCSA-N
- Compound name
- (2S)-2-amino-3-[[(2R)-3-dodecanoyloxy-2-tetradecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 652.41841 | 256.3 |
[M+Na]+ | 674.40035 | 259.2 |
[M-H]- | 650.40385 | 253.7 |
[M+NH4]+ | 669.44495 | 263.1 |
[M+K]+ | 690.37429 | 258.5 |
[M+H-H2O]+ | 634.40839 | 247.1 |
[M+HCOO]- | 696.40933 | 252.5 |
[M+CH3COO]- | 710.42498 | 268.9 |
[M+Na-2H]- | 672.38580 | 237.9 |
[M]+ | 651.41058 | 252.7 |
[M]- | 651.41168 | 252.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.