CID 71581025

19-hydroxy-2,3-dinor-6-oxoprostaglandin f1alpha

Structural Information

Molecular Formula
C18H30O7
SMILES
CC(CCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CC(=O)CCC(=O)O)O)O)O)O
InChI
InChI=1S/C18H30O7/c1-11(19)3-2-4-12(20)5-7-14-15(17(23)10-16(14)22)9-13(21)6-8-18(24)25/h5,7,11-12,14-17,19-20,22-23H,2-4,6,8-10H2,1H3,(H,24,25)/b7-5+/t11?,12-,14+,15+,16+,17-/m0/s1
InChIKey
CCDLUYBTWPYEFY-VKOLDSHFSA-N
Compound name
5-[(1R,2R,3R,5S)-2-[(E,3S)-3,7-dihydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]-4-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.19916 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.20644 187.5
[M+Na]+ 381.18838 188.5
[M-H]- 357.19188 182.8
[M+NH4]+ 376.23298 198.2
[M+K]+ 397.16232 185.4
[M+H-H2O]+ 341.19642 182.2
[M+HCOO]- 403.19736 197.1
[M+CH3COO]- 417.21301 206.2
[M+Na-2H]- 379.17383 178.4
[M]+ 358.19861 185.6
[M]- 358.19971 185.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.