CID 9818312
9,10-epoxy-18-hydroxyoctadecanoic acid
Structural Information
- Molecular Formula
- C18H34O4
- SMILES
- C(CCCCO)CCCC1C(O1)CCCCCCCC(=O)O
- InChI
- InChI=1S/C18H34O4/c19-15-11-7-2-1-4-8-12-16-17(22-16)13-9-5-3-6-10-14-18(20)21/h16-17,19H,1-15H2,(H,20,21)
- InChIKey
- ITTPZDMHCNGAGQ-UHFFFAOYSA-N
- Compound name
- 8-[3-(8-hydroxyoctyl)oxiran-2-yl]octanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 315.25298 | 178.3 |
[M+Na]+ | 337.23492 | 182.7 |
[M-H]- | 313.23842 | 179.2 |
[M+NH4]+ | 332.27952 | 186.0 |
[M+K]+ | 353.20886 | 178.7 |
[M+H-H2O]+ | 297.24296 | 170.9 |
[M+HCOO]- | 359.24390 | 194.8 |
[M+CH3COO]- | 373.25955 | 207.6 |
[M+Na-2H]- | 335.22037 | 178.3 |
[M]+ | 314.24515 | 187.0 |
[M]- | 314.24625 | 187.0 |