CID 81135

6636-71-1

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

C1=CC=NC(=C1)CNCCO

InChI

InChI=1S/C8H12N2O/c11-6-5-9-7-8-3-1-2-4-10-8/h1-4,9,11H,5-7H2

InChIKey

VLMNYMSCQPXJDR-UHFFFAOYSA-N

Compound name

2-(pyridin-2-ylmethylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 172
Patents: 152.09496 Da
Monoisotopic Mass: -0.4
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]+	153.10224	131.7
[M+Na]+	175.08418	143.3
[M+NH4]+	170.12878	139.8
[M+K]+	191.05812	136.9
[M-H]-	151.08768	133.5
[M+Na-2H]-	173.06963	138.9
[M]+	152.09441	133.7
[M]-	152.09551	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe