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]+ 207.973276 137.9
[M+Na]+ 229.955218 148.1
[M-H]- 205.958724 139.8
[M+NH4]+ 224.999823 157.2
[M+K]+ 245.929158 145.0
[M+H-H2O]+ 189.963260 133.0
[M+HCOO]- 251.964201 149.8
[M+CH3COO]- 265.979851 178.0
[M+Na-2H]- 227.940666 136.4
[M]+ 206.96545142 141.9
[M]- 206.96654858 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.