CID 4989167

4-(pyridin-3-yl)piperidin-4-ol dihydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

C1CNCCC1(C2=CN=CC=C2)O

InChI

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

InChIKey

VVJAZRLYMFLGML-UHFFFAOYSA-N

Compound name

4-pyridin-3-ylpiperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 165
Patents: 178.11061 Da
Monoisotopic Mass: -0.1
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	140.5
[M+Na]+	201.099828	145.9
[M-H]-	177.103334	141.1
[M+NH4]+	196.144433	157.8
[M+K]+	217.073768	142.3
[M+H-H2O]+	161.107870	132.9
[M+HCOO]-	223.108811	156.5
[M+CH3COO]-	237.124461	151.2
[M+Na-2H]-	199.085276	147.8
[M]+	178.11006142	132.9
[M]-	178.11115858	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe