CID 11355896

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

Structural Information

Molecular Formula
C7H7NO3S
SMILES
CCOC(=O)C1=CSC(=N1)C=O
InChI
InChI=1S/C7H7NO3S/c1-2-11-7(10)5-4-12-6(3-9)8-5/h3-4H,2H2,1H3
InChIKey
YKOVJIFWXRQGNC-UHFFFAOYSA-N
Compound name
ethyl 2-formyl-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

283
Patents

185.01466 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.02194 136.5
[M+Na]+ 208.00388 146.2
[M-H]- 184.00738 139.7
[M+NH4]+ 203.04848 157.6
[M+K]+ 223.97782 144.8
[M+H-H2O]+ 168.01192 130.8
[M+HCOO]- 230.01286 156.0
[M+CH3COO]- 244.02851 177.4
[M+Na-2H]- 205.98933 138.2
[M]+ 185.01411 141.8
[M]- 185.01521 141.8
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