CID 76247

2,2-dimethylglutaric anhydride

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

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

InChI

InChI=1S/C7H10O3/c1-7(2)4-3-5(8)10-6(7)9/h3-4H2,1-2H3

InChIKey

PAVNZLVXYJDFNR-UHFFFAOYSA-N

Compound name

3,3-dimethyloxane-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1974
Patents: 142.06299 Da
Monoisotopic Mass: 0.8
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]+	143.07027	126.9
[M+Na]+	165.05221	138.6
[M+NH4]+	160.09681	136.5
[M+K]+	181.02615	132.0
[M-H]-	141.05571	129.3
[M+Na-2H]-	163.03766	132.7
[M]+	142.06244	129.3
[M]-	142.06354	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe