CID 883879

1170206-86-6

Structural Information

Molecular Formula

C₁₂H₁₇N₃O

SMILES

C1CNCCC1C(=O)NCC2=CN=CC=C2

InChI

InChI=1S/C12H17N3O/c16-12(11-3-6-13-7-4-11)15-9-10-2-1-5-14-8-10/h1-2,5,8,11,13H,3-4,6-7,9H2,(H,15,16)

InChIKey

AJYLRDRZBOYTST-UHFFFAOYSA-N

Compound name

N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 219.13716 Da
Monoisotopic Mass: 0.0
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]+	220.14444	151.7
[M+Na]+	242.12638	162.2
[M+NH4]+	237.17098	158.9
[M+K]+	258.10032	155.9
[M-H]-	218.12988	154.3
[M+Na-2H]-	240.11183	158.4
[M]+	219.13661	153.5
[M]-	219.13771	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe