CID 56935966
Linolenyl arachidate
Structural Information
- Molecular Formula
- C38H70O2
- SMILES
- CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC/C=C\C/C=C\C/C=C\CC
- InChI
- InChI=1S/C38H70O2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38(39)40-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20H,3-5,7,9-11,13,15-17,19,21-37H2,1-2H3/b8-6-,14-12-,20-18-
- InChIKey
- OJSVZTJAFMEUHD-HLMRNWPHSA-N
- Compound name
- [(9Z,12Z,15Z)-octadeca-9,12,15-trienyl] icosanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 559.54488 | 254.2 |
[M+Na]+ | 581.52682 | 261.1 |
[M-H]- | 557.53032 | 236.2 |
[M+NH4]+ | 576.57142 | 253.5 |
[M+K]+ | 597.50076 | 261.7 |
[M+H-H2O]+ | 541.53486 | 253.7 |
[M+HCOO]- | 603.53580 | 263.1 |
[M+CH3COO]- | 617.55145 | 260.4 |
[M+Na-2H]- | 579.51227 | 238.6 |
[M]+ | 558.53705 | 254.3 |
[M]- | 558.53815 | 254.3 |
Literature stripe
No literature data available for this compound.