CID 9548882
2,3-dinor-8-epi-prostaglandin f1alpha
Structural Information
- Molecular Formula
- C18H32O5
- SMILES
- CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@H]1CCCCC(=O)O)O)O)O
- InChI
- InChI=1S/C18H32O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-,17+/m0/s1
- InChIKey
- XHHYJZGDOMKLEE-RLDLTEIJSA-N
- Compound name
- 5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]pentanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 329.23226 | 184.2 |
[M+Na]+ | 351.21420 | 186.3 |
[M-H]- | 327.21770 | 180.7 |
[M+NH4]+ | 346.25880 | 197.3 |
[M+K]+ | 367.18814 | 181.9 |
[M+H-H2O]+ | 311.22224 | 178.6 |
[M+HCOO]- | 373.22318 | 196.7 |
[M+CH3COO]- | 387.23883 | 202.6 |
[M+Na-2H]- | 349.19965 | 177.4 |
[M]+ | 328.22443 | 183.2 |
[M]- | 328.22553 | 183.2 |
Literature stripe
No literature data available for this compound.