CID 743

Glutaric acid

Structural Information

Molecular Formula

C₅H₈O₄

SMILES

C(CC(=O)O)CC(=O)O

InChI

InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)

InChIKey

JFCQEDHGNNZCLN-UHFFFAOYSA-N

Compound name

pentanedioic acid

Related CIDs

2D Structure

compound 2d structure

11
Annotation Hits: 944
References: 30194
Patents: 132.04225 Da
Monoisotopic Mass: -0.3
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]+	133.04953	124.9
[M+Na]+	155.03147	131.7
[M-H]-	131.03497	122.6
[M+NH4]+	150.07607	145.2
[M+K]+	171.00541	131.4
[M+H-H2O]+	115.03951	120.7
[M+HCOO]-	177.04045	145.3
[M+CH3COO]-	191.05610	166.7
[M+Na-2H]-	153.01692	128.9
[M]+	132.04170	125.0
[M]-	132.04280	125.0

Literature stripe

literature stripe

Patent stripe

patents stripe