CID 131822341
Pa(8:0/i-12:0)
Structural Information
- Molecular Formula
- C23H45O8P
- SMILES
- CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC(C)C
- InChI
- InChI=1S/C23H45O8P/c1-4-5-6-9-13-16-22(24)29-18-21(19-30-32(26,27)28)31-23(25)17-14-11-8-7-10-12-15-20(2)3/h20-21H,4-19H2,1-3H3,(H2,26,27,28)/t21-/m1/s1
- InChIKey
- AFEICCKBAPOWQX-OAQYLSRUSA-N
- Compound name
- [(2R)-1-octanoyloxy-3-phosphonooxypropan-2-yl] 10-methylundecanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 481.29250 | 218.7 |
[M+Na]+ | 503.27444 | 222.6 |
[M-H]- | 479.27794 | 214.6 |
[M+NH4]+ | 498.31904 | 224.6 |
[M+K]+ | 519.24838 | 219.5 |
[M+H-H2O]+ | 463.28248 | 211.5 |
[M+HCOO]- | 525.28342 | 223.3 |
[M+CH3COO]- | 539.29907 | 235.0 |
[M+Na-2H]- | 501.25989 | 204.7 |
[M]+ | 480.28467 | 217.2 |
[M]- | 480.28577 | 217.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.