CID 27893

4-ethyloxolan-2-one

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

CCC1CC(=O)OC1

InChI

InChI=1S/C6H10O2/c1-2-5-3-6(7)8-4-5/h5H,2-4H2,1H3

InChIKey

MDQZVJSUBKPTHG-UHFFFAOYSA-N

Compound name

4-ethyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 67
Patents: 114.06808 Da
Monoisotopic Mass: 1.0
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	121.5
[M+Na]+	137.05730	132.1
[M+NH4]+	132.10190	130.3
[M+K]+	153.03124	128.8
[M-H]-	113.06080	123.8
[M+Na-2H]-	135.04275	125.6
[M]+	114.06753	123.4
[M]-	114.06863	123.4

Literature stripe

literature stripe

Patent stripe

patents stripe