CID 1277653

4-bromo-1-methyl-1h-imidazole

Structural Information

Molecular Formula
C4H5BrN2
SMILES
CN1C=C(N=C1)Br
InChI
InChI=1S/C4H5BrN2/c1-7-2-4(5)6-3-7/h2-3H,1H3
InChIKey
IOTSLMMLLXTNNH-UHFFFAOYSA-N
Compound name
4-bromo-1-methylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1026
Patents

159.96361 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.97089 121.8
[M+Na]+ 182.95283 135.7
[M-H]- 158.95633 126.3
[M+NH4]+ 177.99743 145.8
[M+K]+ 198.92677 126.2
[M+H-H2O]+ 142.96087 121.9
[M+HCOO]- 204.96181 143.9
[M+CH3COO]- 218.97746 174.2
[M+Na-2H]- 180.93828 130.8
[M]+ 159.96306 140.7
[M]- 159.96416 140.7
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