CID 117259280

4-bromo-2-cyclopropyl-1h-imidazole

Structural Information

Molecular Formula
C6H7BrN2
SMILES
C1CC1C2=NC=C(N2)Br
InChI
InChI=1S/C6H7BrN2/c7-5-3-8-6(9-5)4-1-2-4/h3-4H,1-2H2,(H,8,9)
InChIKey
RWFHKTLGXJYMKW-UHFFFAOYSA-N
Compound name
5-bromo-2-cyclopropyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

185.97926 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.986536 134.8
[M+Na]+ 208.968478 149.3
[M-H]- 184.971984 141.5
[M+NH4]+ 204.013083 152.4
[M+K]+ 224.942418 137.3
[M+H-H2O]+ 168.976520 134.0
[M+HCOO]- 230.977461 155.4
[M+CH3COO]- 244.993111 150.0
[M+Na-2H]- 206.953926 142.1
[M]+ 185.97871142 152.8
[M]- 185.97980858 152.8
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