CID 74890576

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

Structural Information

Molecular Formula
C6H9BrN2
SMILES
CC1=C(N(C(=N1)Br)C)C
InChI
InChI=1S/C6H9BrN2/c1-4-5(2)9(3)6(7)8-4/h1-3H3
InChIKey
HGODMPYCRWDPJP-UHFFFAOYSA-N
Compound name
2-bromo-1,4,5-trimethylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

187.9949 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.00218 129.9
[M+Na]+ 210.98412 144.7
[M-H]- 186.98762 134.7
[M+NH4]+ 206.02872 153.3
[M+K]+ 226.95806 134.6
[M+H-H2O]+ 170.99216 130.0
[M+HCOO]- 232.99310 151.3
[M+CH3COO]- 247.00875 181.9
[M+Na-2H]- 208.96957 136.5
[M]+ 187.99435 150.1
[M]- 187.99545 150.1
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