CID 53394177

Hybpxyqcxnotfk-uhfffaoysa-n

Structural Information

Molecular Formula

C₂₀H₃₆O₄

SMILES

CCCCCC(C=CC1CCC(C1CCCCCCC(=O)O)O)O

InChI

InChI=1S/C20H36O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,16-19,21-22H,2-11,13,15H2,1H3,(H,23,24)

InChIKey

HYBPXYQCXNOTFK-UHFFFAOYSA-N

Compound name

7-[2-hydroxy-5-(3-hydroxyoct-1-enyl)cyclopentyl]heptanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 340.26135 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

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]+	341.268626	191.1
[M+Na]+	363.250568	192.0
[M-H]-	339.254074	188.3
[M+NH4]+	358.295173	204.2
[M+K]+	379.224508	187.2
[M+H-H2O]+	323.258610	184.8
[M+HCOO]-	385.259551	204.3
[M+CH3COO]-	399.275201	207.4
[M+Na-2H]-	361.236016	184.2
[M]+	340.26080142	190.8
[M]-	340.26189858	190.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe