CID 49937

Hexanesulfonic acid

Structural Information

Molecular Formula

C₆H₁₄O₃S

SMILES

CCCCCCS(=O)(=O)O

InChI

InChI=1S/C6H14O3S/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3,(H,7,8,9)

InChIKey

FYAQQULBLMNGAH-UHFFFAOYSA-N

Compound name

hexane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 37
References: 13323
Patents: 166.06636 Da
Monoisotopic Mass: 1.4
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]+	167.07364	136.4
[M+Na]+	189.05558	145.1
[M+NH4]+	184.10018	143.2
[M+K]+	205.02952	138.9
[M-H]-	165.05908	134.0
[M+Na-2H]-	187.04103	138.1
[M]+	166.06581	137.2
[M]-	166.06691	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe