CID 58337022

5-bromo-1-methyl-2-(propan-2-yl)-1h-imidazole

Structural Information

Molecular Formula
C7H11BrN2
SMILES
CC(C)C1=NC=C(N1C)Br
InChI
InChI=1S/C7H11BrN2/c1-5(2)7-9-4-6(8)10(7)3/h4-5H,1-3H3
InChIKey
JYNYCZMDFGQQLY-UHFFFAOYSA-N
Compound name
5-bromo-1-methyl-2-propan-2-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

202.01056 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.017836 135.7
[M+Na]+ 224.999778 149.0
[M-H]- 201.003284 140.2
[M+NH4]+ 220.044383 158.3
[M+K]+ 240.973718 139.0
[M+H-H2O]+ 185.007820 135.5
[M+HCOO]- 247.008761 155.9
[M+CH3COO]- 261.024411 184.4
[M+Na-2H]- 222.985226 141.2
[M]+ 202.01001142 155.3
[M]- 202.01110858 155.3
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