CID 28374433

1864015-82-6

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

C1CNCC=C1C2=CC=NC=C2

InChI

InChI=1S/C10H12N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-3,5-6,12H,4,7-8H2

InChIKey

IRADRONEMSSJFZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 160.10005 Da
Monoisotopic Mass: 0.9
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]+	161.10733	134.1
[M+Na]+	183.08927	140.0
[M-H]-	159.09277	136.0
[M+NH4]+	178.13387	150.9
[M+K]+	199.06321	136.2
[M+H-H2O]+	143.09731	125.9
[M+HCOO]-	205.09825	152.8
[M+CH3COO]-	219.11390	145.8
[M+Na-2H]-	181.07472	142.1
[M]+	160.09950	128.0
[M]-	160.10060	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe