CID 5282868
5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclopentyl]-6-heptenoic acid
Structural Information
- Molecular Formula
- C19H30O6
- SMILES
- CCCCC/C=C/CC\1C2CC(/C1=C\C(CCCC(=O)O)OO)OO2
- InChI
- InChI=1S/C19H30O6/c1-2-3-4-5-6-7-10-15-16(18-13-17(15)24-25-18)12-14(23-22)9-8-11-19(20)21/h6-7,12,14-15,17-18,22H,2-5,8-11,13H2,1H3,(H,20,21)/b7-6+,16-12-
- InChIKey
- RMDWPORTSLRMPB-SDHWVOLWSA-N
- Compound name
- (6Z)-5-hydroperoxy-6-[6-[(E)-oct-2-enyl]-2,3-dioxabicyclo[2.2.1]heptan-5-ylidene]hexanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 355.21150 | 190.9 |
[M+Na]+ | 377.19344 | 193.3 |
[M-H]- | 353.19694 | 190.5 |
[M+NH4]+ | 372.23804 | 204.7 |
[M+K]+ | 393.16738 | 191.4 |
[M+H-H2O]+ | 337.20148 | 186.6 |
[M+HCOO]- | 399.20242 | 203.4 |
[M+CH3COO]- | 413.21807 | 209.4 |
[M+Na-2H]- | 375.17889 | 188.0 |
[M]+ | 354.20367 | 195.5 |
[M]- | 354.20477 | 195.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.