CID 82562259

3-bromo-5-(1-methyl-1h-imidazol-2-yl)pyridine

Structural Information

Molecular Formula
C9H8BrN3
SMILES
CN1C=CN=C1C2=CC(=CN=C2)Br
InChI
InChI=1S/C9H8BrN3/c1-13-3-2-12-9(13)7-4-8(10)6-11-5-7/h2-6H,1H3
InChIKey
IOFYWMKFWQUIGH-UHFFFAOYSA-N
Compound name
3-bromo-5-(1-methylimidazol-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

236.99016 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.997436 140.6
[M+Na]+ 259.979378 154.4
[M-H]- 235.982884 146.9
[M+NH4]+ 255.023983 160.3
[M+K]+ 275.953318 143.3
[M+H-H2O]+ 219.987420 139.3
[M+HCOO]- 281.988361 161.4
[M+CH3COO]- 296.004011 156.1
[M+Na-2H]- 257.964826 148.5
[M]+ 236.98961142 159.9
[M]- 236.99070858 159.9
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