CID 12351252

61689-40-5

Structural Information

Molecular Formula
C5H5NO4S
SMILES
CCOC(=O)C1=NSC(=O)O1
InChI
InChI=1S/C5H5NO4S/c1-2-9-4(7)3-6-11-5(8)10-3/h2H2,1H3
InChIKey
DALSSTCLLLLFJN-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-1,3,4-oxathiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

174.99393 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.00121 130.4
[M+Na]+ 197.98315 140.8
[M-H]- 173.98665 134.5
[M+NH4]+ 193.02775 150.5
[M+K]+ 213.95709 141.3
[M+H-H2O]+ 157.99119 125.0
[M+HCOO]- 219.99213 150.0
[M+CH3COO]- 234.00778 173.6
[M+Na-2H]- 195.96860 134.0
[M]+ 174.99338 136.9
[M]- 174.99448 136.9
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

patents stripe