CID 155820746

3-(methanesulfonylmethyl)cyclobutan-1-ol

Structural Information

Molecular Formula

C₆H₁₂O₃S

SMILES

CS(=O)(=O)CC1CC(C1)O

InChI

InChI=1S/C6H12O3S/c1-10(8,9)4-5-2-6(7)3-5/h5-7H,2-4H2,1H3

InChIKey

DBLXENLKUFTUMS-UHFFFAOYSA-N

Compound name

3-(methylsulfonylmethyl)cyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 164.05072 Da
Monoisotopic Mass: -0.3
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]+	165.05800	131.1
[M+Na]+	187.03994	135.6
[M+NH4]+	182.08454	134.5
[M+K]+	203.01388	132.3
[M-H]-	163.04344	127.5
[M+Na-2H]-	185.02539	131.5
[M]+	164.05017	129.7
[M]-	164.05127	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe