CID 2813162

1-(3-cyanopyridin-2-yl)piperidine-4-carboxamide

Structural Information

Molecular Formula

C₁₂H₁₄N₄O

SMILES

C1CN(CCC1C(=O)N)C2=C(C=CC=N2)C#N

InChI

InChI=1S/C12H14N4O/c13-8-10-2-1-5-15-12(10)16-6-3-9(4-7-16)11(14)17/h1-2,5,9H,3-4,6-7H2,(H2,14,17)

InChIKey

FWUQIBARTSKYEM-UHFFFAOYSA-N

Compound name

1-(3-cyano-2-pyridinyl)piperidine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 230.11676 Da
Monoisotopic Mass: 0.4
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]+	231.124036	152.4
[M+Na]+	253.105978	159.6
[M-H]-	229.109484	153.9
[M+NH4]+	248.150583	164.8
[M+K]+	269.079918	155.3
[M+H-H2O]+	213.114020	136.9
[M+HCOO]-	275.114961	166.8
[M+CH3COO]-	289.130611	203.3
[M+Na-2H]-	251.091426	154.9
[M]+	230.11621142	141.7
[M]-	230.11730858	141.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.