CID 52929457
Pa(20:0/13:0)
Structural Information
- Molecular Formula
- C36H71O8P
- SMILES
- CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCC
- InChI
- InChI=1S/C36H71O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-24-26-28-30-35(37)42-32-34(33-43-45(39,40)41)44-36(38)31-29-27-25-22-14-12-10-8-6-4-2/h34H,3-33H2,1-2H3,(H2,39,40,41)/t34-/m1/s1
- InChIKey
- XRKXSZBCVMHRCU-UUWRZZSWSA-N
- Compound name
- [(2R)-3-phosphonooxy-2-tridecanoyloxypropyl] icosanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 663.49593 | 266.2 |
[M+Na]+ | 685.47787 | 266.7 |
[M+NH4]+ | 680.52247 | 270.2 |
[M+K]+ | 701.45181 | 267.0 |
[M-H]- | 661.48137 | 254.5 |
[M+Na-2H]- | 683.46332 | 265.5 |
[M]+ | 662.48810 | 263.6 |
[M]- | 662.48920 | 263.6 |
Literature stripe
Patent stripe
No patent data available for this compound.