CID 5280884
Prostaglandin j2
Structural Information
- Molecular Formula
- C20H30O4
- SMILES
- CCCCC[C@@H](/C=C/[C@@H]1[C@H](C=CC1=O)C/C=C\CCCC(=O)O)O
- InChI
- InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18+/m0/s1
- InChIKey
- UQOQENZZLBSFKO-POPPZSFYSA-N
- Compound name
- (Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 335.22170 | 186.6 |
[M+Na]+ | 357.20364 | 189.6 |
[M-H]- | 333.20714 | 185.8 |
[M+NH4]+ | 352.24824 | 200.7 |
[M+K]+ | 373.17758 | 184.3 |
[M+H-H2O]+ | 317.21168 | 180.2 |
[M+HCOO]- | 379.21262 | 203.2 |
[M+CH3COO]- | 393.22827 | 207.1 |
[M+Na-2H]- | 355.18909 | 181.1 |
[M]+ | 334.21387 | 188.2 |
[M]- | 334.21497 | 188.2 |