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]+ 191.978356 135.3
[M+Na]+ 213.960298 145.8
[M-H]- 189.963804 138.5
[M+NH4]+ 209.004903 156.2
[M+K]+ 229.934238 143.4
[M+H-H2O]+ 173.968340 130.0
[M+HCOO]- 235.969281 149.6
[M+CH3COO]- 249.984931 176.5
[M+Na-2H]- 211.945746 135.5
[M]+ 190.97053142 140.6
[M]- 190.97162858 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.