CID 30032995

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
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

No literature data available for this compound.

Patent stripe

patents stripe