CID 134812476
Oon-pg
Structural Information
- Molecular Formula
- C33H61O11P
- SMILES
- CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=O
- InChI
- InChI=1S/C33H61O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-32(37)41-28-31(29-43-45(39,40)42-27-30(36)26-35)44-33(38)24-21-18-15-16-19-22-25-34/h9-10,25,30-31,35-36H,2-8,11-24,26-29H2,1H3,(H,39,40)/b10-9-/t30-,31+/m0/s1
- InChIKey
- ODIDLOHVXQFDGW-DGEKRMNSSA-N
- Compound name
- [(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-(9-oxononanoyloxy)propyl] (Z)-octadec-9-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 665.40242 | 260.9 |
[M+Na]+ | 687.38436 | 261.4 |
[M-H]- | 663.38786 | 255.8 |
[M+NH4]+ | 682.42896 | 266.9 |
[M+K]+ | 703.35830 | 261.3 |
[M+H-H2O]+ | 647.39240 | 251.6 |
[M+HCOO]- | 709.39334 | 260.9 |
[M+CH3COO]- | 723.40899 | 264.4 |
[M+Na-2H]- | 685.36981 | 241.1 |
[M]+ | 664.39459 | 259.5 |
[M]- | 664.39569 | 259.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.