CID 11229258

1-pyridin-2-ylmethylpiperidin-4-one

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

C1CN(CCC1=O)CC2=CC=CC=N2

InChI

InChI=1S/C11H14N2O/c14-11-4-7-13(8-5-11)9-10-3-1-2-6-12-10/h1-3,6H,4-5,7-9H2

InChIKey

LQHWXULWFQQUDQ-UHFFFAOYSA-N

Compound name

1-(pyridin-2-ylmethyl)piperidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 50
Patents: 190.11061 Da
Monoisotopic Mass: 0.2
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]+	191.117886	142.2
[M+Na]+	213.099828	148.2
[M-H]-	189.103334	145.2
[M+NH4]+	208.144433	158.5
[M+K]+	229.073768	145.2
[M+H-H2O]+	173.107870	133.4
[M+HCOO]-	235.108811	161.0
[M+CH3COO]-	249.124461	181.7
[M+Na-2H]-	211.085276	148.1
[M]+	190.11006142	137.9
[M]-	190.11115858	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe