PubChemLite - Prostaglandin f1alpha (C20H36O5)

Structural Information

Molecular Formula

SMILES

CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CCCCCCC(=O)O)O)O)O

InChI

InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-19,21-23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-,19+/m0/s1

InChIKey

DZUXGQBLFALXCR-CDIPTNKSSA-N

Compound name

7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	357.26358	192.0
[M+Na]+	379.24552	195.6
[M+NH4]+	374.29012	194.6
[M+K]+	395.21946	193.6
[M-H]-	355.24902	188.0
[M+Na-2H]-	377.23097	187.8
[M]+	356.25575	190.5
[M]-	356.25685	190.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

357.26358

192.0

[M+Na]+

379.24552

195.6

[M+NH4]+

374.29012

194.6

[M+K]+

395.21946

193.6

[M-H]-

355.24902

188.0

[M+Na-2H]-

377.23097

187.8

[M]+

356.25575

190.5

[M]-

356.25685

190.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Prostaglandin f1alpha

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe