CID 20051

Methylsuccinic anhydride

Structural Information

Molecular Formula

C₅H₆O₃

SMILES

CC1CC(=O)OC1=O

InChI

InChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h3H,2H2,1H3

InChIKey

DFATXMYLKPCSCX-UHFFFAOYSA-N

Compound name

3-methyloxolane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 4967
Patents: 114.03169 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]+	115.03897	118.9
[M+Na]+	137.02091	129.7
[M+NH4]+	132.06551	127.0
[M+K]+	152.99485	127.3
[M-H]-	113.02441	120.6
[M+Na-2H]-	135.00636	122.5
[M]+	114.03114	120.6
[M]-	114.03224	120.6

Literature stripe

literature stripe

Patent stripe

patents stripe