CID 2763979

34595-23-8

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

C1CCN(CC1)C2=C(C=CC=N2)C#N

InChI

InChI=1S/C11H13N3/c12-9-10-5-4-6-13-11(10)14-7-2-1-3-8-14/h4-6H,1-3,7-8H2

InChIKey

QSVJDHRFGUCEDC-UHFFFAOYSA-N

Compound name

2-piperidin-1-ylpyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 187.11095 Da
Monoisotopic Mass: 1.9
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]+	188.118226	139.4
[M+Na]+	210.100168	147.3
[M-H]-	186.103674	141.2
[M+NH4]+	205.144773	153.9
[M+K]+	226.074108	142.7
[M+H-H2O]+	170.108210	124.1
[M+HCOO]-	232.109151	154.4
[M+CH3COO]-	246.124801	149.5
[M+Na-2H]-	208.085616	145.0
[M]+	187.11040142	129.6
[M]-	187.11149858	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe