CID 11007862

4,4-dimethyloxolan-3-one

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

CC1(COCC1=O)C

InChI

InChI=1S/C6H10O2/c1-6(2)4-8-3-5(6)7/h3-4H2,1-2H3

InChIKey

XYDIXPVBQATDIM-UHFFFAOYSA-N

Compound name

4,4-dimethyloxolan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 114.06808 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]+	115.07536	118.6
[M+Na]+	137.05730	127.3
[M-H]-	113.06080	123.3
[M+NH4]+	132.10190	144.0
[M+K]+	153.03124	128.4
[M+H-H2O]+	97.065340	115.3
[M+HCOO]-	159.06628	141.8
[M+CH3COO]-	173.08193	166.8
[M+Na-2H]-	135.04275	126.0
[M]+	114.06753	118.8
[M]-	114.06863	118.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe