CID 140145

7475-92-5

Structural Information

Molecular Formula

C₆H₈O₃

SMILES

CC1C(C(=O)OC1=O)C

InChI

InChI=1S/C6H8O3/c1-3-4(2)6(8)9-5(3)7/h3-4H,1-2H3

InChIKey

HXFIRQHMXJBTRV-UHFFFAOYSA-N

Compound name

3,4-dimethyloxolane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2569
Patents: 128.04735 Da
Monoisotopic Mass: 0.7
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	120.0
[M+Na]+	151.036568	129.9
[M-H]-	127.040074	125.0
[M+NH4]+	146.081173	143.2
[M+K]+	167.010508	130.5
[M+H-H2O]+	111.044610	116.3
[M+HCOO]-	173.045551	143.5
[M+CH3COO]-	187.061201	170.8
[M+Na-2H]-	149.022016	124.9
[M]+	128.04680142	121.3
[M]-	128.04789858	121.3

Literature stripe

literature stripe

Patent stripe

patents stripe