CID 340058

Nsc369424

Structural Information

Molecular Formula
C5H5NO4S2
SMILES
CC(C(=O)O)N1C(=O)SSC1=O
InChI
InChI=1S/C5H5NO4S2/c1-2(3(7)8)6-4(9)11-12-5(6)10/h2H,1H3,(H,7,8)
InChIKey
XTYJATODDLNVLT-UHFFFAOYSA-N
Compound name
2-(3,5-dioxo-1,2,4-dithiazolidin-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.966 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.97328 137.9
[M+Na]+ 229.95522 148.1
[M-H]- 205.95872 139.8
[M+NH4]+ 224.99982 157.2
[M+K]+ 245.92916 145.0
[M+H-H2O]+ 189.96326 133.0
[M+HCOO]- 251.96420 149.8
[M+CH3COO]- 265.97985 178.0
[M+Na-2H]- 227.94067 136.4
[M]+ 206.96545 141.9
[M]- 206.96655 141.9
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

No patent data available for this compound.