CID 52927436
Pg(16:1(9z)/0:0)
Structural Information
- Molecular Formula
- C22H43O9P
- SMILES
- CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)O
- InChI
- InChI=1S/C22H43O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)29-17-21(25)19-31-32(27,28)30-18-20(24)16-23/h7-8,20-21,23-25H,2-6,9-19H2,1H3,(H,27,28)/b8-7-/t20-,21+/m0/s1
- InChIKey
- JSKJPUCKVIJTKI-PNHFMCTPSA-N
- Compound name
- [(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (Z)-hexadec-9-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 483.27175 | 216.6 |
[M+Na]+ | 505.25369 | 217.4 |
[M-H]- | 481.25719 | 211.0 |
[M+NH4]+ | 500.29829 | 216.8 |
[M+K]+ | 521.22763 | 213.4 |
[M+H-H2O]+ | 465.26173 | 206.4 |
[M+HCOO]- | 527.26267 | 220.4 |
[M+CH3COO]- | 541.27832 | 229.0 |
[M+Na-2H]- | 503.23914 | 200.3 |
[M]+ | 482.26392 | 212.4 |
[M]- | 482.26502 | 212.4 |