CID 1284665

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

Structural Information

Molecular Formula
C6H7BrN2O2S
SMILES
CCOC(=O)C1=C(SC(=N1)N)Br
InChI
InChI=1S/C6H7BrN2O2S/c1-2-11-5(10)3-4(7)12-6(8)9-3/h2H2,1H3,(H2,8,9)
InChIKey
TWGNDRMYYDZGFI-UHFFFAOYSA-N
Compound name
ethyl 2-amino-5-bromo-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

249.94116 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.948436 137.2
[M+Na]+ 272.930378 150.4
[M-H]- 248.933884 142.8
[M+NH4]+ 267.974983 159.0
[M+K]+ 288.904318 139.2
[M+H-H2O]+ 232.938420 136.8
[M+HCOO]- 294.939361 154.8
[M+CH3COO]- 308.955011 188.7
[M+Na-2H]- 270.915826 140.2
[M]+ 249.94061142 158.3
[M]- 249.94170858 158.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe