CID 126457327
(z)-7-(5-((1e,3e,6z,9z)-dodeca-1,3,6,9-tetraen-1-yl)-1,2-dioxolan-3-yl)-7-hydroperoxyhept-4-enoic acid
Structural Information
- Molecular Formula
- C22H32O6
- SMILES
- CC/C=C\C/C=C\C/C=C/C=C/C1CC(OO1)C(C/C=C\CCC(=O)O)OO
- InChI
- InChI=1S/C22H32O6/c1-2-3-4-5-6-7-8-9-10-12-15-19-18-21(28-27-19)20(26-25)16-13-11-14-17-22(23)24/h3-4,6-7,9-13,15,19-21,25H,2,5,8,14,16-18H2,1H3,(H,23,24)/b4-3-,7-6-,10-9+,13-11-,15-12+
- InChIKey
- OIPKWLXLRXRCOU-MJWAYRHDSA-N
- Compound name
- (Z)-7-[5-[(1E,3E,6Z,9Z)-dodeca-1,3,6,9-tetraenyl]dioxolan-3-yl]-7-hydroperoxyhept-4-enoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 393.22716 | 202.4 |
[M+Na]+ | 415.20910 | 203.4 |
[M-H]- | 391.21260 | 201.8 |
[M+NH4]+ | 410.25370 | 211.1 |
[M+K]+ | 431.18304 | 199.3 |
[M+H-H2O]+ | 375.21714 | 195.6 |
[M+HCOO]- | 437.21808 | 215.9 |
[M+CH3COO]- | 451.23373 | 213.7 |
[M+Na-2H]- | 413.19455 | 197.8 |
[M]+ | 392.21933 | 205.4 |
[M]- | 392.22043 | 205.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.