CID 66520762

4-bromo-1-cyclohexyl-1h-imidazole

Structural Information

Molecular Formula
C9H13BrN2
SMILES
C1CCC(CC1)N2C=C(N=C2)Br
InChI
InChI=1S/C9H13BrN2/c10-9-6-12(7-11-9)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKey
JTHAXXMZLSRFFU-UHFFFAOYSA-N
Compound name
4-bromo-1-cyclohexylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

228.02621 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.03349 144.7
[M+Na]+ 251.01543 154.6
[M-H]- 227.01893 150.8
[M+NH4]+ 246.06003 165.4
[M+K]+ 266.98937 144.3
[M+H-H2O]+ 211.02347 143.5
[M+HCOO]- 273.02441 162.5
[M+CH3COO]- 287.04006 158.7
[M+Na-2H]- 249.00088 150.0
[M]+ 228.02566 159.0
[M]- 228.02676 159.0
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