CID 131821915
Pa(18:1(11z)/20:1(11z))
Structural Information
- Molecular Formula
- C41H77O8P
- SMILES
- CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COP(=O)(O)O
- InChI
- InChI=1S/C41H77O8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(43)49-39(38-48-50(44,45)46)37-47-40(42)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,39H,3-13,15,18,20-38H2,1-2H3,(H2,44,45,46)/b16-14-,19-17-/t39-/m1/s1
- InChIKey
- JJOHACUMXCWCEP-RTJYTIBZSA-N
- Compound name
- [(2R)-1-[(Z)-octadec-11-enoyl]oxy-3-phosphonooxypropan-2-yl] (Z)-icos-11-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 729.54288 | 277.0 |
[M+Na]+ | 751.52482 | 278.3 |
[M-H]- | 727.52832 | 266.1 |
[M+NH4]+ | 746.56942 | 281.4 |
[M+K]+ | 767.49876 | 281.3 |
[M+H-H2O]+ | 711.53286 | 267.2 |
[M+HCOO]- | 773.53380 | 278.4 |
[M+CH3COO]- | 787.54945 | 281.5 |
[M+Na-2H]- | 749.51027 | 255.6 |
[M]+ | 728.53505 | 275.3 |
[M]- | 728.53615 | 275.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.