CID 125512597

3-methanesulfonylcyclobutan-1-one

Structural Information

Molecular Formula

SMILES

CS(=O)(=O)C1CC(=O)C1

InChI

InChI=1S/C5H8O3S/c1-9(7,8)5-2-4(6)3-5/h5H,2-3H2,1H3

InChIKey

MCHUSBOFAJSPDL-UHFFFAOYSA-N

Compound name

3-methylsulfonylcyclobutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 148.01941 Da
Monoisotopic Mass: -0.9
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]+	149.02669	126.1
[M+Na]+	171.00863	131.4
[M+NH4]+	166.05323	129.8
[M+K]+	186.98257	128.0
[M-H]-	147.01213	122.9
[M+Na-2H]-	168.99408	127.2
[M]+	148.01886	125.0
[M]-	148.01996	125.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe