CID 83636653

4-bromo-2-ethyl-5-methyl-1h-imidazole

Structural Information

Molecular Formula
C6H9BrN2
SMILES
CCC1=NC(=C(N1)C)Br
InChI
InChI=1S/C6H9BrN2/c1-3-5-8-4(2)6(7)9-5/h3H2,1-2H3,(H,8,9)
InChIKey
CQQXUSJXRURWPC-UHFFFAOYSA-N
Compound name
4-bromo-2-ethyl-5-methyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.9949 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.00218 131.8
[M+Na]+ 210.98412 145.3
[M-H]- 186.98762 135.0
[M+NH4]+ 206.02872 154.3
[M+K]+ 226.95806 134.3
[M+H-H2O]+ 170.99216 131.8
[M+HCOO]- 232.99310 151.8
[M+CH3COO]- 247.00875 178.3
[M+Na-2H]- 208.96957 138.5
[M]+ 187.99435 149.9
[M]- 187.99545 149.9
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

No patent data available for this compound.