CID 130878175

3-methanesulfonylcyclobutan-1-ol

Structural Information

Molecular Formula

C₅H₁₀O₃S

SMILES

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

InChI

InChI=1S/C5H10O3S/c1-9(7,8)5-2-4(6)3-5/h4-6H,2-3H2,1H3

InChIKey

NWJDWYQKQUEMFR-UHFFFAOYSA-N

Compound name

3-methylsulfonylcyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 150.03506 Da
Monoisotopic Mass: -0.5
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]+	151.042336	123.2
[M+Na]+	173.024278	129.3
[M-H]-	149.027784	125.6
[M+NH4]+	168.068883	137.6
[M+K]+	188.998218	131.0
[M+H-H2O]+	133.032320	113.3
[M+HCOO]-	195.033261	138.1
[M+CH3COO]-	209.048911	172.8
[M+Na-2H]-	171.009726	126.6
[M]+	150.03451142	132.6
[M]-	150.03560858	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe