CID 52929534
Pa(22:0/20:1(11z))
Structural Information
- Molecular Formula
- C45H87O8P
- SMILES
- CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
- InChI
- InChI=1S/C45H87O8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(46)51-41-43(42-52-54(48,49)50)53-45(47)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h18,20,43H,3-17,19,21-42H2,1-2H3,(H2,48,49,50)/b20-18-/t43-/m1/s1
- InChIKey
- BZLSVOUCCLEZFB-KAKKGSANSA-N
- Compound name
- [(2R)-2-[(Z)-icos-11-enoyl]oxy-3-phosphonooxypropyl] docosanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 787.62111 | 293.7 |
[M+Na]+ | 809.60305 | 293.9 |
[M+NH4]+ | 804.64765 | 297.4 |
[M+K]+ | 825.57699 | 295.7 |
[M-H]- | 785.60655 | 279.8 |
[M+Na-2H]- | 807.58850 | 290.6 |
[M]+ | 786.61328 | 290.9 |
[M]- | 786.61438 | 290.9 |
Literature stripe
Patent stripe
No patent data available for this compound.