CID 13582607

2-ethoxycyclobutan-1-one

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

CCOC1CCC1=O

InChI

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

InChIKey

PILSGRFKXQBSJY-UHFFFAOYSA-N

Compound name

2-ethoxycyclobutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 114.06808 Da
Monoisotopic Mass: 0.4
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	116.9
[M+Na]+	137.057298	123.7
[M-H]-	113.060804	120.8
[M+NH4]+	132.101903	133.4
[M+K]+	153.031238	126.8
[M+H-H2O]+	97.065340	107.7
[M+HCOO]-	159.066281	139.8
[M+CH3COO]-	173.081931	173.1
[M+Na-2H]-	135.042746	123.5
[M]+	114.06753142	126.6
[M]-	114.06862858	126.6

Literature stripe

literature stripe

Patent stripe

patents stripe