CID 131822507
Pa(i-20:0/i-15:0)
Structural Information
- Molecular Formula
- C38H75O8P
- SMILES
- CC(C)CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCC(C)C
- InChI
- InChI=1S/C38H75O8P/c1-34(2)28-24-20-16-12-9-7-5-6-8-10-14-18-22-26-30-37(39)44-32-36(33-45-47(41,42)43)46-38(40)31-27-23-19-15-11-13-17-21-25-29-35(3)4/h34-36H,5-33H2,1-4H3,(H2,41,42,43)/t36-/m1/s1
- InChIKey
- KAEBUKAMKZUZMA-PSXMRANNSA-N
- Compound name
- [(2R)-2-(13-methyltetradecanoyloxy)-3-phosphonooxypropyl] 18-methylnonadecanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 691.52724 | 270.3 |
[M+Na]+ | 713.50918 | 272.0 |
[M-H]- | 689.51268 | 261.9 |
[M+NH4]+ | 708.55378 | 277.3 |
[M+K]+ | 729.48312 | 275.6 |
[M+H-H2O]+ | 673.51722 | 261.9 |
[M+HCOO]- | 735.51816 | 266.4 |
[M+CH3COO]- | 749.53381 | 277.2 |
[M+Na-2H]- | 711.49463 | 250.4 |
[M]+ | 690.51941 | 269.4 |
[M]- | 690.52051 | 269.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.