CID 16205126
42415-80-5
Structural Information
- Molecular Formula
- C24H42O6
- SMILES
- CCCCCCCC/C=C\CCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O
- InChI
- InChI=1S/C24H42O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)29-21(3)24(28)30-20(2)23(26)27/h11-12,20-21H,4-10,13-19H2,1-3H3,(H,26,27)/b12-11-
- InChIKey
- AEBDQINWULSXIX-QXMHVHEDSA-N
- Compound name
- 2-[2-[(Z)-octadec-9-enoyl]oxypropanoyloxy]propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 427.30541 | 211.0 |
[M+Na]+ | 449.28735 | 219.2 |
[M-H]- | 425.29085 | 206.5 |
[M+NH4]+ | 444.33195 | 217.9 |
[M+K]+ | 465.26129 | 216.0 |
[M+H-H2O]+ | 409.29539 | 205.6 |
[M+HCOO]- | 471.29633 | 214.5 |
[M+CH3COO]- | 485.31198 | 228.6 |
[M+Na-2H]- | 447.27280 | 201.8 |
[M]+ | 426.29758 | 211.2 |
[M]- | 426.29868 | 211.2 |
Literature stripe
No literature data available for this compound.