CID 56126

90802-19-0

Structural Information

Molecular Formula
C3H7NO5S2
SMILES
C(C(C(=O)OS(=O)(=O)O)N)S
InChI
InChI=1S/C3H7NO5S2/c4-2(1-10)3(5)9-11(6,7)8/h2,10H,1,4H2,(H,6,7,8)
InChIKey
UCTOFQWYSUAVDK-UHFFFAOYSA-N
Compound name
sulfo 2-amino-3-sulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.97656 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.983836 137.7
[M+Na]+ 223.965778 143.9
[M-H]- 199.969284 135.6
[M+NH4]+ 219.010383 155.2
[M+K]+ 239.939718 141.5
[M+H-H2O]+ 183.973820 132.2
[M+HCOO]- 245.974761 147.5
[M+CH3COO]- 259.990411 177.6
[M+Na-2H]- 221.951226 138.4
[M]+ 200.97601142 139.6
[M]- 200.97710858 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.