CID 83897480

Methyl4-amino-2-bromo-1,3-thiazole-5-carboxylate

Structural Information

Molecular Formula
C5H5BrN2O2S
SMILES
COC(=O)C1=C(N=C(S1)Br)N
InChI
InChI=1S/C5H5BrN2O2S/c1-10-4(9)2-3(7)8-5(6)11-2/h7H2,1H3
InChIKey
DODOLDRKAWHVPL-UHFFFAOYSA-N
Compound name
methyl 4-amino-2-bromo-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.9255 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.93278 134.9
[M+Na]+ 258.91472 135.6
[M+NH4]+ 253.95932 139.0
[M+K]+ 274.88866 137.7
[M-H]- 234.91822 134.0
[M+Na-2H]- 256.90017 136.1
[M]+ 235.92495 133.7
[M]- 235.92605 133.7
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

No patent data available for this compound.