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: 6510
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	132.1
[M+Na]+	187.03994	138.0
[M-H]-	163.04344	133.9
[M+NH4]+	182.08454	152.2
[M+K]+	203.01388	136.3
[M+H-H2O]+	147.04798	127.5
[M+HCOO]-	209.04892	146.0
[M+CH3COO]-	223.06457	169.3
[M+Na-2H]-	185.02539	135.9
[M]+	164.05017	129.4
[M]-	164.05127	129.4

Literature stripe

literature stripe

Patent stripe

patents stripe