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: 95
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]+	115.075356	120.4
[M+Na]+	137.057298	128.2
[M-H]-	113.060804	124.6
[M+NH4]+	132.101903	143.7
[M+K]+	153.031238	129.1
[M+H-H2O]+	97.065340	116.1
[M+HCOO]-	159.066281	143.5
[M+CH3COO]-	173.081931	167.3
[M+Na-2H]-	135.042746	126.4
[M]+	114.06753142	120.2
[M]-	114.06862858	120.2

Literature stripe

literature stripe

Patent stripe

patents stripe