CID 132342169

3-methanesulfinylcyclohexan-1-ol

Structural Information

Molecular Formula

C₇H₁₄O₂S

SMILES

CS(=O)C1CCCC(C1)O

InChI

InChI=1S/C7H14O2S/c1-10(9)7-4-2-3-6(8)5-7/h6-8H,2-5H2,1H3

InChIKey

LTNJLPVPZKRFBD-UHFFFAOYSA-N

Compound name

3-methylsulfinylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 162.07146 Da
Monoisotopic Mass: -0.1
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]+	163.07874	133.0
[M+Na]+	185.06068	142.5
[M+NH4]+	180.10528	141.8
[M+K]+	201.03462	135.8
[M-H]-	161.06418	134.2
[M+Na-2H]-	183.04613	136.5
[M]+	162.07091	134.9
[M]-	162.07201	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.