CID 87067

2,2-dimethylsuccinic anhydride

Structural Information

Molecular Formula

C₆H₈O₃

SMILES

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

InChI

InChI=1S/C6H8O3/c1-6(2)3-4(7)9-5(6)8/h3H2,1-2H3

InChIKey

ACJPFLIEHGFXGP-UHFFFAOYSA-N

Compound name

3,3-dimethyloxolane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2907
Patents: 128.04735 Da
Monoisotopic Mass: 0.5
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]+	129.054626	118.8
[M+Na]+	151.036568	128.7
[M-H]-	127.040074	123.9
[M+NH4]+	146.081173	143.8
[M+K]+	167.010508	129.6
[M+H-H2O]+	111.044610	115.9
[M+HCOO]-	173.045551	142.4
[M+CH3COO]-	187.061201	169.2
[M+Na-2H]-	149.022016	125.8
[M]+	128.04680142	120.2
[M]-	128.04789858	120.2

Literature stripe

literature stripe

Patent stripe

patents stripe