CID 594881

15813-08-8

Structural Information

Molecular Formula
C4H5BrN2
SMILES
CC1=C(N=CN1)Br
InChI
InChI=1S/C4H5BrN2/c1-3-4(5)7-2-6-3/h2H,1H3,(H,6,7)
InChIKey
APWKDMLCPWYWKA-UHFFFAOYSA-N
Compound name
4-bromo-5-methyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

159.96361 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.970886 123.1
[M+Na]+ 182.952828 136.5
[M-H]- 158.956334 126.2
[M+NH4]+ 177.997433 146.3
[M+K]+ 198.926768 126.1
[M+H-H2O]+ 142.960870 123.3
[M+HCOO]- 204.961811 143.7
[M+CH3COO]- 218.977461 171.6
[M+Na-2H]- 180.938276 131.5
[M]+ 159.96306142 140.2
[M]- 159.96415858 140.2
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