PubChemLite - Pgf2alpha alcohol (C20H36O4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C20H36O4/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/h5,8,12-13,16-24H,2-4,6-7,9-11,14-15H2,1H3/b8-5-,13-12+/t16-,17+,18+,19-,20+/m0/s1

InChIKey

QYBXRFWLQYXAPC-LFZNYWNYSA-N

Compound name

(1R,3S,4R,5R)-4-[(Z)-7-hydroxyhept-2-enyl]-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentane-1,3-diol

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]+	341.26863	190.5
[M+Na]+	363.25057	192.2
[M-H]-	339.25407	186.6
[M+NH4]+	358.29517	203.3
[M+K]+	379.22451	186.1
[M+H-H2O]+	323.25861	184.6
[M+HCOO]-	385.25955	203.2
[M+CH3COO]-	399.27520	204.8
[M+Na-2H]-	361.23602	183.7
[M]+	340.26080	189.3
[M]-	340.26190	189.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

341.26863

190.5

[M+Na]+

363.25057

192.2

[M-H]-

339.25407

186.6

[M+NH4]+

358.29517

203.3

[M+K]+

379.22451

186.1

[M+H-H2O]+

323.25861

184.6

[M+HCOO]-

385.25955

203.2

[M+CH3COO]-

399.27520

204.8

[M+Na-2H]-

361.23602

183.7

[M]+

340.26080

189.3

[M]-

340.26190

189.3

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

Pgf2alpha alcohol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe