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: 3
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]+	165.057996	127.8
[M+Na]+	187.039938	133.4
[M-H]-	163.043444	130.0
[M+NH4]+	182.084543	141.6
[M+K]+	203.013878	134.9
[M+H-H2O]+	147.047980	117.7
[M+HCOO]-	209.048921	142.3
[M+CH3COO]-	223.064571	175.8
[M+Na-2H]-	185.025386	130.7
[M]+	164.05017142	137.5
[M]-	164.05126858	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe