CID 68412

Dihydroxymalonic acid

Structural Information

Molecular Formula

C₃H₄O₆

SMILES

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

InChI

InChI=1S/C3H4O6/c4-1(5)3(8,9)2(6)7/h8-9H,(H,4,5)(H,6,7)

InChIKey

VUCKYGJSXHHQOJ-UHFFFAOYSA-N

Compound name

2,2-dihydroxypropanedioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 638
Patents: 136.0008 Da
Monoisotopic Mass: -1.8
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]+	137.00808	122.7
[M+Na]+	158.99002	128.8
[M+NH4]+	154.03462	126.5
[M+K]+	174.96396	129.8
[M-H]-	134.99352	116.4
[M+Na-2H]-	156.97547	122.2
[M]+	136.00025	121.0
[M]-	136.00135	121.0

Literature stripe

literature stripe

Patent stripe

patents stripe