CID 52929603
Pa(o-18:0/22:2(13z,16z))
Structural Information
- Molecular Formula
- C43H83O7P
- SMILES
- CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
- InChI
- InChI=1S/C43H83O7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-43(44)50-42(41-49-51(45,46)47)40-48-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,42H,3-10,12,14-16,18,20-41H2,1-2H3,(H2,45,46,47)/b13-11-,19-17-/t42-/m1/s1
- InChIKey
- RZQXPTWDEMDRAH-GZHHDXNOSA-N
- Compound name
- [(2R)-1-octadecoxy-3-phosphonooxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 743.59493 | 282.2 |
[M+Na]+ | 765.57687 | 282.6 |
[M-H]- | 741.58037 | 267.5 |
[M+NH4]+ | 760.62147 | 283.9 |
[M+K]+ | 781.55081 | 286.4 |
[M+H-H2O]+ | 725.58491 | 271.4 |
[M+HCOO]- | 787.58585 | 284.5 |
[M+CH3COO]- | 801.60150 | 285.9 |
[M+Na-2H]- | 763.56232 | 259.3 |
[M]+ | 742.58710 | 280.0 |
[M]- | 742.58820 | 280.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.