CID 10781299

2-chloro-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂

SMILES

C1CNCC=C1C2=CN=C(C=C2)Cl

InChI

InChI=1S/C10H11ClN2/c11-10-2-1-9(7-13-10)8-3-5-12-6-4-8/h1-3,7,12H,4-6H2

InChIKey

HAYFKIUROKUGCU-UHFFFAOYSA-N

Compound name

2-chloro-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 194.06108 Da
Monoisotopic Mass: 1.6
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]+	195.068356	140.1
[M+Na]+	217.050298	147.6
[M-H]-	193.053804	141.9
[M+NH4]+	212.094903	156.6
[M+K]+	233.024238	142.1
[M+H-H2O]+	177.058340	132.4
[M+HCOO]-	239.059281	154.0
[M+CH3COO]-	253.074931	151.7
[M+Na-2H]-	215.035746	146.7
[M]+	194.06053142	136.3
[M]-	194.06162858	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe