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: 2121
References: 20928
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]+	119.033886	120.1
[M+Na]+	141.015828	127.2
[M-H]-	117.019334	118.1
[M+NH4]+	136.060433	140.9
[M+K]+	156.989768	127.7
[M+H-H2O]+	101.023870	116.3
[M+HCOO]-	163.024811	139.9
[M+CH3COO]-	177.040461	164.7
[M+Na-2H]-	139.001276	123.5
[M]+	118.02606142	119.3
[M]-	118.02715858	119.3

Literature stripe

literature stripe

Patent stripe

patents stripe