CID 1515258

5-bromo-1-methyl-1h-imidazole

Structural Information

Molecular Formula
C4H5BrN2
SMILES
CN1C=NC=C1Br
InChI
InChI=1S/C4H5BrN2/c1-7-3-6-2-4(7)5/h2-3H,1H3
InChIKey
HATLLUIOEIXWGD-UHFFFAOYSA-N
Compound name
5-bromo-1-methylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

863
Patents

159.96361 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.970886 121.8
[M+Na]+ 182.952828 135.7
[M-H]- 158.956334 126.3
[M+NH4]+ 177.997433 145.8
[M+K]+ 198.926768 126.2
[M+H-H2O]+ 142.960870 121.9
[M+HCOO]- 204.961811 143.9
[M+CH3COO]- 218.977461 174.2
[M+Na-2H]- 180.938276 130.8
[M]+ 159.96306142 140.7
[M]- 159.96415858 140.7
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