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

82
Patents

173.97926 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.986536 126.9
[M+Na]+ 196.968478 139.5
[M-H]- 172.971984 130.8
[M+NH4]+ 192.013083 150.0
[M+K]+ 212.942418 129.8
[M+H-H2O]+ 156.976520 126.5
[M+HCOO]- 218.977461 148.7
[M+CH3COO]- 232.993111 176.0
[M+Na-2H]- 194.953926 136.0
[M]+ 173.97871142 145.8
[M]- 173.97980858 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