CID 89362940

(3r)-3-hydroxy-4-oxobutanoate

Structural Information

Molecular Formula

C₄H₆O₄

SMILES

C([C@H](C=O)O)C(=O)O

InChI

InChI=1S/C4H6O4/c5-2-3(6)1-4(7)8/h2-3,6H,1H2,(H,7,8)/t3-/m1/s1

InChIKey

QWHDXIUUXWGQME-GSVOUGTGSA-N

Compound name

(3R)-3-hydroxy-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 118.02661 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]+	119.03389	120.2
[M+Na]+	141.01583	127.4
[M-H]-	117.01933	118.1
[M+NH4]+	136.06043	141.0
[M+K]+	156.98977	127.4
[M+H-H2O]+	101.02387	116.2
[M+HCOO]-	163.02481	141.0
[M+CH3COO]-	177.04046	163.7
[M+Na-2H]-	139.00128	124.8
[M]+	118.02606	120.0
[M]-	118.02716	120.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe