CID 83475

13450-66-3

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

C1CCN(CC1)CCC2=CN=CC=C2

InChI

InChI=1S/C12H18N2/c1-2-8-14(9-3-1)10-6-12-5-4-7-13-11-12/h4-5,7,11H,1-3,6,8-10H2

InChIKey

CUYAYRDAKAKHLZ-UHFFFAOYSA-N

Compound name

3-(2-piperidin-1-ylethyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 190.147 Da
Monoisotopic Mass: 1.7
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]+	191.15428	144.4
[M+Na]+	213.13622	148.8
[M-H]-	189.13972	146.8
[M+NH4]+	208.18082	160.6
[M+K]+	229.11016	145.7
[M+H-H2O]+	173.14426	135.3
[M+HCOO]-	235.14520	162.5
[M+CH3COO]-	249.16085	155.3
[M+Na-2H]-	211.12167	150.6
[M]+	190.14645	139.4
[M]-	190.14755	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe