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

618
Patents

171.9864 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.99368 134.9
[M+Na]+ 194.97562 141.8
[M+NH4]+ 190.02022 141.2
[M+K]+ 210.94956 136.2
[M-H]- 170.97912 131.4
[M+Na-2H]- 192.96107 134.7
[M]+ 171.98585 135.4
[M]- 171.98695 135.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe