CID 16061105

Prostaglandin f1alpha alcohol

Structural Information

Molecular Formula
C20H38O4
SMILES
CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CCCCCCCO)O)O)O
InChI
InChI=1S/C20H38O4/c1-2-3-7-10-16(22)12-13-18-17(19(23)15-20(18)24)11-8-5-4-6-9-14-21/h12-13,16-24H,2-11,14-15H2,1H3/b13-12+/t16-,17+,18+,19-,20+/m0/s1
InChIKey
PZXLDAYOXMEITH-YYFRNVAQSA-N
Compound name
(1R,3S,4R,5R)-4-(7-hydroxyheptyl)-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

342.277 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.28428 191.5
[M+Na]+ 365.26622 192.8
[M-H]- 341.26972 187.6
[M+NH4]+ 360.31082 204.3
[M+K]+ 381.24016 187.4
[M+H-H2O]+ 325.27426 185.5
[M+HCOO]- 387.27520 204.0
[M+CH3COO]- 401.29085 206.2
[M+Na-2H]- 363.25167 184.7
[M]+ 342.27645 191.1
[M]- 342.27755 191.1
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

patents stripe