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

1
Patents

187.9949 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.002176 131.8
[M+Na]+ 210.984118 145.3
[M-H]- 186.987624 135.0
[M+NH4]+ 206.028723 154.3
[M+K]+ 226.958058 134.3
[M+H-H2O]+ 170.992160 131.8
[M+HCOO]- 232.993101 151.8
[M+CH3COO]- 247.008751 178.3
[M+Na-2H]- 208.969566 138.5
[M]+ 187.99435142 149.9
[M]- 187.99544858 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

patents stripe