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

326
Patents

171.9864 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.993676 131.7
[M+Na]+ 194.975618 138.8
[M-H]- 170.979124 129.2
[M+NH4]+ 190.020223 150.7
[M+K]+ 210.949558 135.8
[M+H-H2O]+ 154.983660 127.3
[M+HCOO]- 216.984601 140.6
[M+CH3COO]- 231.000251 169.4
[M+Na-2H]- 192.961066 133.1
[M]+ 171.98585142 133.7
[M]- 171.98694858 133.7
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