CID 12563868

3-ethoxycyclobutan-1-one

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

CCOC1CC(=O)C1

InChI

InChI=1S/C6H10O2/c1-2-8-6-3-5(7)4-6/h6H,2-4H2,1H3

InChIKey

LVHZHHKPKYYHKS-UHFFFAOYSA-N

Compound name

3-ethoxycyclobutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 114.06808 Da
Monoisotopic Mass: 0.0
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	116.9
[M+Na]+	137.05730	123.7
[M-H]-	113.06080	120.8
[M+NH4]+	132.10190	133.4
[M+K]+	153.03124	126.8
[M+H-H2O]+	97.065340	107.7
[M+HCOO]-	159.06628	139.8
[M+CH3COO]-	173.08193	173.1
[M+Na-2H]-	135.04275	123.5
[M]+	114.06753	126.6
[M]-	114.06863	126.6

Literature stripe

literature stripe

Patent stripe

patents stripe