CID 53363271

4-(pyridin-2-yl)piperidine-4-carbonitrile

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

C1CNCCC1(C#N)C2=CC=CC=N2

InChI

InChI=1S/C11H13N3/c12-9-11(4-7-13-8-5-11)10-3-1-2-6-14-10/h1-3,6,13H,4-5,7-8H2

InChIKey

VXQVGWZSCZUOKK-UHFFFAOYSA-N

Compound name

4-pyridin-2-ylpiperidine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 187.11095 Da
Monoisotopic Mass: 0.5
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]+	188.11823	146.5
[M+Na]+	210.10017	158.6
[M+NH4]+	205.14477	152.7
[M+K]+	226.07411	146.7
[M-H]-	186.10367	142.1
[M+Na-2H]-	208.08562	152.8
[M]+	187.11040	146.2
[M]-	187.11150	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe