CID 598

2-mercaptoethanesulfonic acid

Structural Information

Molecular Formula

C₂H₆O₃S₂

SMILES

C(CS(=O)(=O)O)S

InChI

InChI=1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5)

InChIKey

ZNEWHQLOPFWXOF-UHFFFAOYSA-N

Compound name

2-sulfanylethanesulfonic acid

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1636
References: 48846
Patents: 141.97583 Da
Monoisotopic Mass: -0.6
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]+	142.98311	128.0
[M+Na]+	164.96505	136.5
[M+NH4]+	160.00965	135.5
[M+K]+	180.93899	129.4
[M-H]-	140.96855	125.9
[M+Na-2H]-	162.95050	129.3
[M]+	141.97528	129.3
[M]-	141.97638	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe