CID 10419685

1-(2-bromoethyl)-1h-imidazole hydrobromide

Structural Information

Molecular Formula
C5H7BrN2
SMILES
C1=CN(C=N1)CCBr
InChI
InChI=1S/C5H7BrN2/c6-1-3-8-4-2-7-5-8/h2,4-5H,1,3H2
InChIKey
LKUVBYVPXLUHPM-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

173.97926 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.98654 126.9
[M+Na]+ 196.96848 139.5
[M-H]- 172.97198 130.8
[M+NH4]+ 192.01308 150.0
[M+K]+ 212.94242 129.8
[M+H-H2O]+ 156.97652 126.5
[M+HCOO]- 218.97746 148.7
[M+CH3COO]- 232.99311 176.0
[M+Na-2H]- 194.95393 136.0
[M]+ 173.97871 145.8
[M]- 173.97981 145.8
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