CID 248485

6950-99-8

Structural Information

Molecular Formula

C₉H₁₄N₂O

SMILES

C1=CC=NC(=C1)CNCCCO

InChI

InChI=1S/C9H14N2O/c12-7-3-5-10-8-9-4-1-2-6-11-9/h1-2,4,6,10,12H,3,5,7-8H2

InChIKey

UTTDICFUEAFWJV-UHFFFAOYSA-N

Compound name

3-(pyridin-2-ylmethylamino)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 52
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	135.7
[M+Na]+	189.09983	141.8
[M-H]-	165.10333	136.2
[M+NH4]+	184.14443	153.9
[M+K]+	205.07377	139.3
[M+H-H2O]+	149.10787	128.8
[M+HCOO]-	211.10881	158.8
[M+CH3COO]-	225.12446	178.2
[M+Na-2H]-	187.08528	143.9
[M]+	166.11006	134.9
[M]-	166.11116	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe