CID 487

Methylmalonic acid

Structural Information

Molecular Formula

C₄H₆O₄

SMILES

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

InChI

InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)

InChIKey

ZIYVHBGGAOATLY-UHFFFAOYSA-N

Compound name

2-methylpropanedioic acid

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 2118
References: 22275
Patents: 118.02661 Da
Monoisotopic Mass: 0.1
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	120.1
[M+Na]+	141.01583	127.2
[M-H]-	117.01933	118.1
[M+NH4]+	136.06043	140.9
[M+K]+	156.98977	127.7
[M+H-H2O]+	101.02387	116.3
[M+HCOO]-	163.02481	139.9
[M+CH3COO]-	177.04046	164.7
[M+Na-2H]-	139.00128	123.5
[M]+	118.02606	119.3
[M]-	118.02716	119.3

Literature stripe

literature stripe

Patent stripe

patents stripe