PubChemLite - 19r-hydroxy-pgf2alpha (C20H34O6)

Structural Information

Molecular Formula

SMILES

C[C@H](CCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O)O

InChI

InChI=1S/C20H34O6/c1-14(21)7-6-8-15(22)11-12-17-16(18(23)13-19(17)24)9-4-2-3-5-10-20(25)26/h2,4,11-12,14-19,21-24H,3,5-10,13H2,1H3,(H,25,26)/b4-2-,12-11+/t14-,15+,16-,17-,18+,19-/m1/s1

InChIKey

UBWZMPMLSDJDSU-OQRQNLQMSA-N

Compound name

(Z)-7-[(1R,2R,3R,5S)-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic 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]+	371.24281	194.6
[M+Na]+	393.22475	195.3
[M-H]-	369.22825	189.5
[M+NH4]+	388.26935	205.0
[M+K]+	409.19869	190.4
[M+H-H2O]+	353.23279	189.0
[M+HCOO]-	415.23373	204.4
[M+CH3COO]-	429.24938	208.2
[M+Na-2H]-	391.21020	185.4
[M]+	370.23498	192.5
[M]-	370.23608	192.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

371.24281

194.6

[M+Na]+

393.22475

195.3

[M-H]-

369.22825

189.5

[M+NH4]+

388.26935

205.0

[M+K]+

409.19869

190.4

[M+H-H2O]+

353.23279

189.0

[M+HCOO]-

415.23373

204.4

[M+CH3COO]-

429.24938

208.2

[M+Na-2H]-

391.21020

185.4

[M]+

370.23498

192.5

[M]-

370.23608

192.5

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

19r-hydroxy-pgf2alpha

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe