CID 428836

Sodium cyclohexanesulfonate

Structural Information

Molecular Formula

C₆H₁₂O₃S

SMILES

C1CCC(CC1)S(=O)(=O)O

InChI

InChI=1S/C6H12O3S/c7-10(8,9)6-4-2-1-3-5-6/h6H,1-5H2,(H,7,8,9)

InChIKey

ZHGASCUQXLPSDT-UHFFFAOYSA-N

Compound name

cyclohexanesulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6069
Patents: 164.05072 Da
Monoisotopic Mass: 0.9
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	132.8
[M+Na]+	187.03994	141.7
[M+NH4]+	182.08454	140.7
[M+K]+	203.01388	135.7
[M-H]-	163.04344	132.7
[M+Na-2H]-	185.02539	136.3
[M]+	164.05017	134.2
[M]-	164.05127	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe