CID 53438778

6-bromo-4,4'-dimethyl-2,2'-bipyridyl

Structural Information

Molecular Formula

C₁₂H₁₁BrN₂

SMILES

CC1=CC(=NC=C1)C2=NC(=CC(=C2)C)Br

InChI

InChI=1S/C12H11BrN2/c1-8-3-4-14-10(5-8)11-6-9(2)7-12(13)15-11/h3-7H,1-2H3

InChIKey

UEJJXCRFGURPDR-UHFFFAOYSA-N

Compound name

2-bromo-4-methyl-6-(4-methyl-2-pyridinyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 262.01056 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	263.017836	147.9
[M+Na]+	284.999778	161.1
[M-H]-	261.003284	155.2
[M+NH4]+	280.044383	166.3
[M+K]+	300.973718	149.1
[M+H-H2O]+	245.007820	146.6
[M+HCOO]-	307.008761	168.0
[M+CH3COO]-	321.024411	162.9
[M+Na-2H]-	282.985226	156.1
[M]+	262.01001142	167.3
[M]-	262.01110858	167.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe