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]+ 174.02194 133.1
[M+Na]+ 196.00388 142.6
[M-H]- 172.00738 134.9
[M+NH4]+ 191.04848 153.9
[M+K]+ 211.97782 140.6
[M+H-H2O]+ 156.01192 127.7
[M+HCOO]- 218.01286 151.3
[M+CH3COO]- 232.02851 171.9
[M+Na-2H]- 193.98933 134.7
[M]+ 173.01411 136.1
[M]- 173.01521 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