CID 181976

3-hydroxyglutaric acid

Structural Information

Molecular Formula

C₅H₈O₅

SMILES

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

InChI

InChI=1S/C5H8O5/c6-3(1-4(7)8)2-5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10)

InChIKey

ZQHYXNSQOIDNTL-UHFFFAOYSA-N

Compound name

3-hydroxypentanedioic acid

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 127
References: 2470
Patents: 148.03717 Da
Monoisotopic Mass: -1.4
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]+	149.04445	129.2
[M+Na]+	171.02639	135.9
[M+NH4]+	166.07099	133.8
[M+K]+	187.00033	135.1
[M-H]-	147.02989	124.4
[M+Na-2H]-	169.01184	129.0
[M]+	148.03662	128.0
[M]-	148.03772	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe