CID 94746

3709-08-8

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

CC1(CCOC1=O)C

InChI

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

InChIKey

UPVAIJPDWVTFKT-UHFFFAOYSA-N

Compound name

3,3-dimethyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 889
Patents: 114.06808 Da
Monoisotopic Mass: 1.1
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]+	115.075356	118.6
[M+Na]+	137.057298	127.3
[M-H]-	113.060804	123.3
[M+NH4]+	132.101903	144.0
[M+K]+	153.031238	128.4
[M+H-H2O]+	97.065340	115.3
[M+HCOO]-	159.066281	141.8
[M+CH3COO]-	173.081931	166.8
[M+Na-2H]-	135.042746	126.0
[M]+	114.06753142	118.8
[M]-	114.06862858	118.8

Literature stripe

literature stripe

Patent stripe

patents stripe