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

46
Patents

248.9459 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.95318 137.4
[M+Na]+ 271.93512 151.4
[M-H]- 247.93862 143.6
[M+NH4]+ 266.97972 160.1
[M+K]+ 287.90906 140.9
[M+H-H2O]+ 231.94316 138.0
[M+HCOO]- 293.94410 154.5
[M+CH3COO]- 307.95975 187.6
[M+Na-2H]- 269.92057 140.5
[M]+ 248.94535 160.7
[M]- 248.94645 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