CID 13010

2,3-dimethylmaleic anhydride

Structural Information

Molecular Formula

C₆H₆O₃

SMILES

CC1=C(C(=O)OC1=O)C

InChI

InChI=1S/C6H6O3/c1-3-4(2)6(8)9-5(3)7/h1-2H3

InChIKey

MFGALGYVFGDXIX-UHFFFAOYSA-N

Compound name

3,4-dimethylfuran-2,5-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 84
References: 12373
Patents: 126.03169 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]+	127.03897	117.8
[M+Na]+	149.02091	128.8
[M-H]-	125.02441	123.3
[M+NH4]+	144.06551	141.3
[M+K]+	164.99485	129.3
[M+H-H2O]+	109.02895	114.1
[M+HCOO]-	171.02989	142.8
[M+CH3COO]-	185.04554	170.4
[M+Na-2H]-	147.00636	123.8
[M]+	126.03114	120.7
[M]-	126.03224	120.7

Literature stripe

literature stripe

Patent stripe

patents stripe