CID 20156507

2-bromo-4,5-dimethyl-1h-imidazole

Structural Information

Molecular Formula
C5H7BrN2
SMILES
CC1=C(N=C(N1)Br)C
InChI
InChI=1S/C5H7BrN2/c1-3-4(2)8-5(6)7-3/h1-2H3,(H,7,8)
InChIKey
OFXMWHDBSVVQAL-UHFFFAOYSA-N
Compound name
2-bromo-4,5-dimethyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
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 127.2
[M+Na]+ 196.96848 141.1
[M-H]- 172.97198 130.6
[M+NH4]+ 192.01308 150.2
[M+K]+ 212.94242 130.3
[M+H-H2O]+ 156.97652 127.4
[M+HCOO]- 218.97746 147.5
[M+CH3COO]- 232.99311 175.5
[M+Na-2H]- 194.95393 134.4
[M]+ 173.97871 145.0
[M]- 173.97981 145.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe