CID 59338079

Ethyl 5-bromo-4-methylthiazole-2-carboxylate

Structural Information

Molecular Formula
C7H8BrNO2S
SMILES
CCOC(=O)C1=NC(=C(S1)Br)C
InChI
InChI=1S/C7H8BrNO2S/c1-3-11-7(10)6-9-4(2)5(8)12-6/h3H2,1-2H3
InChIKey
MMOVAAILXOXJJD-UHFFFAOYSA-N
Compound name
ethyl 5-bromo-4-methyl-1,3-thiazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

248.9459 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.953176 137.4
[M+Na]+ 271.935118 151.4
[M-H]- 247.938624 143.6
[M+NH4]+ 266.979723 160.1
[M+K]+ 287.909058 140.9
[M+H-H2O]+ 231.943160 138.0
[M+HCOO]- 293.944101 154.5
[M+CH3COO]- 307.959751 187.6
[M+Na-2H]- 269.920566 140.5
[M]+ 248.94535142 160.7
[M]- 248.94644858 160.7
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