CID 91636019

(1-methanesulfonylcyclobutyl)methanol

Structural Information

Molecular Formula

C₆H₁₂O₃S

SMILES

CS(=O)(=O)C1(CCC1)CO

InChI

InChI=1S/C6H12O3S/c1-10(8,9)6(5-7)3-2-4-6/h7H,2-5H2,1H3

InChIKey

UCEPWJZPSKQKTR-UHFFFAOYSA-N

Compound name

(1-methylsulfonylcyclobutyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 164.05072 Da
Monoisotopic Mass: -0.4
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	129.3
[M+Na]+	187.039938	134.9
[M-H]-	163.043444	131.5
[M+NH4]+	182.084543	144.8
[M+K]+	203.013878	136.5
[M+H-H2O]+	147.047980	120.5
[M+HCOO]-	209.048921	143.9
[M+CH3COO]-	223.064571	174.2
[M+Na-2H]-	185.025386	134.3
[M]+	164.05017142	139.1
[M]-	164.05126858	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe