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

72
Patents

235.9255 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.932776 132.7
[M+Na]+ 258.914718 146.4
[M-H]- 234.918224 138.5
[M+NH4]+ 253.959323 155.1
[M+K]+ 274.888658 135.5
[M+H-H2O]+ 218.922760 132.5
[M+HCOO]- 280.923701 150.6
[M+CH3COO]- 294.939351 185.9
[M+Na-2H]- 256.900166 136.2
[M]+ 235.92495142 153.5
[M]- 235.92604858 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