CID 81135

Ethanol, 2-[(2-pyridinylmethyl)amino]-

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: 213
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]+	153.102236	131.2
[M+Na]+	175.084178	137.7
[M-H]-	151.087684	131.9
[M+NH4]+	170.128783	149.9
[M+K]+	191.058118	135.4
[M+H-H2O]+	135.092220	124.5
[M+HCOO]-	197.093161	154.6
[M+CH3COO]-	211.108811	175.1
[M+Na-2H]-	173.069626	139.9
[M]+	152.09441142	130.0
[M]-	152.09550858	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe