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

8
Annotation Hits: 2113
References: 18641
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	121.5
[M+Na]+	141.01583	129.5
[M+NH4]+	136.06043	127.3
[M+K]+	156.98977	128.1
[M-H]-	117.01933	117.9
[M+Na-2H]-	139.00128	122.7
[M]+	118.02606	121.0
[M]-	118.02716	121.0

Literature stripe

literature stripe

Patent stripe

patents stripe