CID 2763212

Methyl 2-amino-5-bromo-1,3-thiazole-4-carboxylate

Structural Information

Molecular Formula
C5H5BrN2O2S
SMILES
COC(=O)C1=C(SC(=N1)N)Br
InChI
InChI=1S/C5H5BrN2O2S/c1-10-4(9)2-3(6)11-5(7)8-2/h1H3,(H2,7,8)
InChIKey
KVUHCAXYWHQFLW-UHFFFAOYSA-N
Compound name
methyl 2-amino-5-bromo-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

235.9255 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.93278 132.7
[M+Na]+ 258.91472 146.4
[M-H]- 234.91822 138.5
[M+NH4]+ 253.95932 155.1
[M+K]+ 274.88866 135.5
[M+H-H2O]+ 218.92276 132.5
[M+HCOO]- 280.92370 150.6
[M+CH3COO]- 294.93935 185.9
[M+Na-2H]- 256.90017 136.2
[M]+ 235.92495 153.5
[M]- 235.92605 153.5
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