PubChemLite - Prostaglandin g2 (C20H32O6)

Structural Information

Molecular Formula

SMILES

CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)OO2)OO

InChI

InChI=1S/C20H32O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h4,7,12-13,15-19,23H,2-3,5-6,8-11,14H2,1H3,(H,21,22)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1

InChIKey

SGUKUZOVHSFKPH-YNNPMVKQSA-N

Compound name

(Z)-7-[(1R,4S,5R,6R)-6-[(E,3S)-3-hydroperoxyoct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]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]+	369.22716	192.2
[M+Na]+	391.20910	195.7
[M+NH4]+	386.25370	195.5
[M+K]+	407.18304	195.9
[M-H]-	367.21260	190.3
[M+Na-2H]-	389.19455	185.7
[M]+	368.21933	191.4
[M]-	368.22043	191.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

369.22716

192.2

[M+Na]+

391.20910

195.7

[M+NH4]+

386.25370

195.5

[M+K]+

407.18304

195.9

[M-H]-

367.21260

190.3

[M+Na-2H]-

389.19455

185.7

[M]+

368.21933

191.4

[M]-

368.22043

191.4

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

Prostaglandin g2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe