CID 83532

13489-81-1

Structural Information

Molecular Formula

C₆H₁₂O₄S

SMILES

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

InChI

InChI=1S/C6H12O4S/c7-6(11(8,9)10)4-2-1-3-5-6/h7H,1-5H2,(H,8,9,10)

InChIKey

VVKSTZZZSJVYMI-UHFFFAOYSA-N

Compound name

1-hydroxycyclohexane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 41
Patents: 180.04562 Da
Monoisotopic Mass: 0.2
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]+	181.052896	135.6
[M+Na]+	203.034838	141.7
[M-H]-	179.038344	136.1
[M+NH4]+	198.079443	156.2
[M+K]+	219.008778	139.9
[M+H-H2O]+	163.042880	132.1
[M+HCOO]-	225.043821	148.1
[M+CH3COO]-	239.059471	168.5
[M+Na-2H]-	201.020286	140.8
[M]+	180.04507142	133.0
[M]-	180.04616858	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe