CID 21916151

2-bromo-5-ethyl-1h-imidazole

Structural Information

Molecular Formula
C5H7BrN2
SMILES
CCC1=CN=C(N1)Br
InChI
InChI=1S/C5H7BrN2/c1-2-4-3-7-5(6)8-4/h3H,2H2,1H3,(H,7,8)
InChIKey
DCDZTQJZFVUPJY-UHFFFAOYSA-N
Compound name
2-bromo-5-ethyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

173.97926 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.98654 133.9
[M+Na]+ 196.96848 136.5
[M+NH4]+ 192.01308 138.5
[M+K]+ 212.94242 138.0
[M-H]- 172.97198 132.8
[M+Na-2H]- 194.95393 136.3
[M]+ 173.97871 132.6
[M]- 173.97981 132.6
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