CID 248486

7251-62-9

Structural Information

Molecular Formula

C₉H₁₄N₂O

SMILES

C1=CN=CC=C1CNCCCO

InChI

InChI=1S/C9H14N2O/c12-7-1-4-11-8-9-2-5-10-6-3-9/h2-3,5-6,11-12H,1,4,7-8H2

InChIKey

JCRHBJDXSHWFLX-UHFFFAOYSA-N

Compound name

3-(pyridin-4-ylmethylamino)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 24
Patents: 166.11061 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]+	167.11789	136.2
[M+Na]+	189.09983	147.7
[M+NH4]+	184.14443	144.2
[M+K]+	205.07377	141.0
[M-H]-	165.10333	138.0
[M+Na-2H]-	187.08528	143.2
[M]+	166.11006	138.1
[M]-	166.11116	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe