CID 10956379

4-(bromomethyl)-4'-methyl-2,2'-bipyridyl

Structural Information

Molecular Formula
C12H11BrN2
SMILES
CC1=CC(=NC=C1)C2=NC=CC(=C2)CBr
InChI
InChI=1S/C12H11BrN2/c1-9-2-4-14-11(6-9)12-7-10(8-13)3-5-15-12/h2-7H,8H2,1H3
InChIKey
HUJZHWSADZZJAB-UHFFFAOYSA-N
Compound name
2-[4-(bromomethyl)-2-pyridinyl]-4-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

40
Patents

262.01056 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.017836 148.1
[M+Na]+ 284.999778 160.4
[M-H]- 261.003284 155.0
[M+NH4]+ 280.044383 166.2
[M+K]+ 300.973718 148.4
[M+H-H2O]+ 245.007820 146.7
[M+HCOO]- 307.008761 168.3
[M+CH3COO]- 321.024411 162.8
[M+Na-2H]- 282.985226 157.0
[M]+ 262.01001142 167.1
[M]- 262.01110858 167.1
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