CID 11332793

1-(pyridin-4-yl)piperidin-4-one

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

C1CN(CCC1=O)C2=CC=NC=C2

InChI

InChI=1S/C10H12N2O/c13-10-3-7-12(8-4-10)9-1-5-11-6-2-9/h1-2,5-6H,3-4,7-8H2

InChIKey

MAXMUBIIZUKOJF-UHFFFAOYSA-N

Compound name

1-pyridin-4-ylpiperidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 176.09496 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]+	177.102236	137.6
[M+Na]+	199.084178	144.1
[M-H]-	175.087684	140.9
[M+NH4]+	194.128783	154.6
[M+K]+	215.058118	141.4
[M+H-H2O]+	159.092220	129.1
[M+HCOO]-	221.093161	156.8
[M+CH3COO]-	235.108811	178.7
[M+Na-2H]-	197.069626	144.1
[M]+	176.09441142	133.1
[M]-	176.09550858	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe