CID 15266297

Ethyl 2-hydroxy-1,3-thiazole-4-carboxylate

Structural Information

Molecular Formula
C6H7NO3S
SMILES
CCOC(=O)C1=CSC(=O)N1
InChI
InChI=1S/C6H7NO3S/c1-2-10-5(8)4-3-11-6(9)7-4/h3H,2H2,1H3,(H,7,9)
InChIKey
FISQGIBFVQGVPZ-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-3H-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

173.01466 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.021936 133.1
[M+Na]+ 196.003878 142.6
[M-H]- 172.007384 134.9
[M+NH4]+ 191.048483 153.9
[M+K]+ 211.977818 140.6
[M+H-H2O]+ 156.011920 127.7
[M+HCOO]- 218.012861 151.3
[M+CH3COO]- 232.028511 171.9
[M+Na-2H]- 193.989326 134.7
[M]+ 173.01411142 136.1
[M]- 173.01520858 136.1
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

patents stripe