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]+ 229.033486 144.7
[M+Na]+ 251.015428 154.6
[M-H]- 227.018934 150.8
[M+NH4]+ 246.060033 165.4
[M+K]+ 266.989368 144.3
[M+H-H2O]+ 211.023470 143.5
[M+HCOO]- 273.024411 162.5
[M+CH3COO]- 287.040061 158.7
[M+Na-2H]- 249.000876 150.0
[M]+ 228.02566142 159.0
[M]- 228.02675858 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