CID 20775037

Ethyl 5-ethyl-1,3-thiazole-2-carboxylate

Structural Information

Molecular Formula
C8H11NO2S
SMILES
CCC1=CN=C(S1)C(=O)OCC
InChI
InChI=1S/C8H11NO2S/c1-3-6-5-9-7(12-6)8(10)11-4-2/h5H,3-4H2,1-2H3
InChIKey
YEXMICFPALTRHK-UHFFFAOYSA-N
Compound name
ethyl 5-ethyl-1,3-thiazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

185.05106 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05834 138.7
[M+Na]+ 208.04028 147.8
[M-H]- 184.04378 141.7
[M+NH4]+ 203.08488 160.0
[M+K]+ 224.01422 146.4
[M+H-H2O]+ 168.04832 132.9
[M+HCOO]- 230.04926 157.5
[M+CH3COO]- 244.06491 179.3
[M+Na-2H]- 206.02573 139.8
[M]+ 185.05051 143.7
[M]- 185.05161 143.7
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