CID 5280882

Prostaglandin c2

Structural Information

Molecular Formula
C20H30O4
SMILES
CCCCC[C@@H](/C=C/C1=CCC(=O)[C@@H]1C/C=C\CCCC(=O)O)O
InChI
InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-14,17-18,21H,2-3,5-6,8-11,15H2,1H3,(H,23,24)/b7-4-,14-12+/t17-,18+/m0/s1
InChIKey
CMBOTAQMTNMTBD-KLASNZEFSA-N
Compound name
(Z)-7-[(1R)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-2-en-1-yl]hept-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

60
Patents

334.21442 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.22170 186.8
[M+Na]+ 357.20364 192.7
[M+NH4]+ 352.24824 190.3
[M+K]+ 373.17758 188.8
[M-H]- 333.20714 184.0
[M+Na-2H]- 355.18909 185.1
[M]+ 334.21387 186.1
[M]- 334.21497 186.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe