CID 58641831

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

Structural Information

Molecular Formula
C5H7BrN2
SMILES
CC1=C(N(C=N1)C)Br
InChI
InChI=1S/C5H7BrN2/c1-4-5(6)8(2)3-7-4/h3H,1-2H3
InChIKey
HSWDPTMDFFUMQR-UHFFFAOYSA-N
Compound name
5-bromo-1,4-dimethylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

173.97926 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.986536 125.9
[M+Na]+ 196.968478 140.3
[M-H]- 172.971984 130.6
[M+NH4]+ 192.013083 149.6
[M+K]+ 212.942418 130.4
[M+H-H2O]+ 156.976520 126.0
[M+HCOO]- 218.977461 147.6
[M+CH3COO]- 232.993111 178.0
[M+Na-2H]- 194.953926 133.7
[M]+ 173.97871142 145.5
[M]- 173.97980858 145.5
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