CID 105442421

2-bromo-5-cyclopropyl-1h-imidazole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.97926 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.98654 134.8
[M+Na]+ 208.96848 149.3
[M-H]- 184.97198 141.5
[M+NH4]+ 204.01308 152.4
[M+K]+ 224.94242 137.3
[M+H-H2O]+ 168.97652 134.0
[M+HCOO]- 230.97746 155.4
[M+CH3COO]- 244.99311 150.0
[M+Na-2H]- 206.95393 142.1
[M]+ 185.97871 152.8
[M]- 185.97981 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

No patent data available for this compound.