CID 12695232

Ethyl 3-oxo-3h-1,2,4-dithiazole-5-carboxylate

Structural Information

Molecular Formula
C5H5NO3S2
SMILES
CCOC(=O)C1=NC(=O)SS1
InChI
InChI=1S/C5H5NO3S2/c1-2-9-4(7)3-6-5(8)11-10-3/h2H2,1H3
InChIKey
MSNHJJQPCYKTMJ-UHFFFAOYSA-N
Compound name
ethyl 5-oxo-1,2,4-dithiazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.97108 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.97836 135.3
[M+Na]+ 213.96030 145.8
[M-H]- 189.96380 138.5
[M+NH4]+ 209.00490 156.2
[M+K]+ 229.93424 143.4
[M+H-H2O]+ 173.96834 130.0
[M+HCOO]- 235.96928 149.6
[M+CH3COO]- 249.98493 176.5
[M+Na-2H]- 211.94575 135.5
[M]+ 190.97053 140.6
[M]- 190.97163 140.6
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.