CID 72214250

Methyl 2-bromo-1h-imidazole-5-carboxylate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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 132.2
[M+Na]+ 226.94267 145.0
[M-H]- 202.94617 135.3
[M+NH4]+ 221.98727 153.5
[M+K]+ 242.91661 135.0
[M+H-H2O]+ 186.95071 131.9
[M+HCOO]- 248.95165 152.1
[M+CH3COO]- 262.96730 177.5
[M+Na-2H]- 224.92812 138.9
[M]+ 203.95290 150.9
[M]- 203.95400 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