CID 71721157

Methyl 4-bromo-1h-imidazole-2-carboxylate

Structural Information

Molecular Formula
C5H5BrN2O2
SMILES
COC(=O)C1=NC=C(N1)Br
InChI
InChI=1S/C5H5BrN2O2/c1-10-5(9)4-7-2-3(6)8-4/h2H,1H3,(H,7,8)
InChIKey
KGKFOCSHGUXYLA-UHFFFAOYSA-N
Compound name
methyl 5-bromo-1H-imidazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.95345 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.96073 138.5
[M+Na]+ 226.94267 139.9
[M+NH4]+ 221.98727 141.7
[M+K]+ 242.91661 143.1
[M-H]- 202.94617 136.1
[M+Na-2H]- 224.92812 139.7
[M]+ 203.95290 136.5
[M]- 203.95400 136.5
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

No patent data available for this compound.