CID 4368629

2'-chloro-n-methyl-1,2,5,6-tetrahydro-3,4'-bipyridine hcl

Structural Information

Molecular Formula

C₁₁H₁₃ClN₂

SMILES

CN1CCC(=CC1)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C11H13ClN2/c1-14-6-4-9(5-7-14)10-2-3-11(12)13-8-10/h2-4,8H,5-7H2,1H3

InChIKey

GJSUWXYHRHGCPU-UHFFFAOYSA-N

Compound name

2-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 208.07672 Da
Monoisotopic Mass: 2.0
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]+	209.083996	144.3
[M+Na]+	231.065938	152.8
[M-H]-	207.069444	147.7
[M+NH4]+	226.110543	161.3
[M+K]+	247.039878	147.9
[M+H-H2O]+	191.073980	136.3
[M+HCOO]-	253.074921	159.4
[M+CH3COO]-	267.090571	156.5
[M+Na-2H]-	229.051386	150.0
[M]+	208.07617142	143.1
[M]-	208.07726858	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe