CID 3015075

Aurotioprol

Structural Information

Molecular Formula

C₃H₈O₄S₂

SMILES

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

InChI

InChI=1S/C3H8O4S2/c4-3(1-8)2-9(5,6)7/h3-4,8H,1-2H2,(H,5,6,7)

InChIKey

PTDRUEDSEVLCBO-UHFFFAOYSA-N

Compound name

2-hydroxy-3-sulfanylpropane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 84
References: 620
Patents: 171.9864 Da
Monoisotopic Mass: -1.2
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]+	172.99368	131.7
[M+Na]+	194.97562	138.8
[M-H]-	170.97912	129.2
[M+NH4]+	190.02022	150.7
[M+K]+	210.94956	135.8
[M+H-H2O]+	154.98366	127.3
[M+HCOO]-	216.98460	140.6
[M+CH3COO]-	231.00025	169.4
[M+Na-2H]-	192.96107	133.1
[M]+	171.98585	133.7
[M]-	171.98695	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe