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

3
Patents

203.95345 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.960726 132.2
[M+Na]+ 226.942668 145.0
[M-H]- 202.946174 135.3
[M+NH4]+ 221.987273 153.5
[M+K]+ 242.916608 135.0
[M+H-H2O]+ 186.950710 131.9
[M+HCOO]- 248.951651 152.1
[M+CH3COO]- 262.967301 177.5
[M+Na-2H]- 224.928116 138.9
[M]+ 203.95290142 150.9
[M]- 203.95399858 150.9
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