CID 1110

Succinic acid

Structural Information

Molecular Formula

C₄H₆O₄

SMILES

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

InChI

InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)

InChIKey

KDYFGRWQOYBRFD-UHFFFAOYSA-N

Compound name

butanedioic acid

Related CIDs

2D Structure

compound 2d structure

11
Annotation Hits: 11366
References: 177019
Patents: 118.02661 Da
Monoisotopic Mass: -0.6
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

literature stripe

Patent stripe

patents stripe