CID 16718441
Isostearyl linoleate
Structural Information
- Molecular Formula
- C36H68O2
- SMILES
- CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C
- InChI
- InChI=1S/C36H68O2/c1-4-5-6-7-8-9-10-11-12-15-18-21-24-27-30-33-36(37)38-34-31-28-25-22-19-16-13-14-17-20-23-26-29-32-35(2)3/h8-9,11-12,35H,4-7,10,13-34H2,1-3H3/b9-8-,12-11-
- InChIKey
- ORFBBOTYPDFHMH-MURFETPASA-N
- Compound name
- 16-methylheptadecyl (9Z,12Z)-octadeca-9,12-dienoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 533.52918 | 248.9 |
[M+Na]+ | 555.51112 | 256.1 |
[M-H]- | 531.51462 | 232.4 |
[M+NH4]+ | 550.55572 | 249.5 |
[M+K]+ | 571.48506 | 256.9 |
[M+H-H2O]+ | 515.51916 | 249.1 |
[M+HCOO]- | 577.52010 | 255.4 |
[M+CH3COO]- | 591.53575 | 256.7 |
[M+Na-2H]- | 553.49657 | 234.2 |
[M]+ | 532.52135 | 249.4 |
[M]- | 532.52245 | 249.4 |
Literature stripe
No literature data available for this compound.