CID 77828

3-methylglutaric anhydride

Structural Information

Molecular Formula

C₆H₈O₃

SMILES

CC1CC(=O)OC(=O)C1

InChI

InChI=1S/C6H8O3/c1-4-2-5(7)9-6(8)3-4/h4H,2-3H2,1H3

InChIKey

MGICRVTUCPFQQZ-UHFFFAOYSA-N

Compound name

4-methyloxane-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1521
Patents: 128.04735 Da
Monoisotopic Mass: 0.3
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]+	129.05463	122.6
[M+Na]+	151.03657	134.3
[M+NH4]+	146.08117	130.8
[M+K]+	167.01051	129.6
[M-H]-	127.04007	125.0
[M+Na-2H]-	149.02202	127.0
[M]+	128.04680	124.7
[M]-	128.04790	124.7

Literature stripe

literature stripe

Patent stripe

patents stripe