CID 23447619

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

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

C1CN(CCC1O)C2=CC=NC=C2

InChI

InChI=1S/C10H14N2O/c13-10-3-7-12(8-4-10)9-1-5-11-6-2-9/h1-2,5-6,10,13H,3-4,7-8H2

InChIKey

DMQVSUISDOVWEW-UHFFFAOYSA-N

Compound name

1-pyridin-4-ylpiperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 117
Patents: 178.11061 Da
Monoisotopic Mass: 0.8
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]+	179.117886	139.4
[M+Na]+	201.099828	145.1
[M-H]-	177.103334	141.2
[M+NH4]+	196.144433	155.6
[M+K]+	217.073768	142.1
[M+H-H2O]+	161.107870	131.1
[M+HCOO]-	223.108811	156.8
[M+CH3COO]-	237.124461	150.7
[M+Na-2H]-	199.085276	145.4
[M]+	178.11006142	133.7
[M]-	178.11115858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe