CID 14496

Cyclobutanone

Structural Information

Molecular Formula

SMILES

C1CC(=O)C1

InChI

InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2

InChIKey

SHQSVMDWKBRBGB-UHFFFAOYSA-N

Compound name

cyclobutanone

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 150
References: 31141
Patents: 70.04186 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]+	71.049136	108.4
[M+Na]+	93.031078	115.5
[M+NH4]+	88.075683	113.9
[M+K]+	109.00502	112.0
[M-H]-	69.034584	107.3
[M+Na-2H]-	91.016526	112.4
[M]+	70.041311	107.8
[M]-	70.042409	107.8

Literature stripe

literature stripe

Patent stripe

patents stripe