CID 59255139

[6-(benzyloxy)pyridin-3-yl]methanol

Structural Information

Molecular Formula

C₁₃H₁₃NO₂

SMILES

C1=CC=C(C=C1)COC2=NC=C(C=C2)CO

InChI

InChI=1S/C13H13NO2/c15-9-12-6-7-13(14-8-12)16-10-11-4-2-1-3-5-11/h1-8,15H,9-10H2

InChIKey

YPIZJUMKFXIJQH-UHFFFAOYSA-N

Compound name

(6-phenylmethoxypyridin-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 29
Patents: 215.09464 Da
Monoisotopic Mass: 1.8
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]+	216.10192	147.6
[M+Na]+	238.08386	162.5
[M+NH4]+	233.12846	156.2
[M+K]+	254.05780	154.7
[M-H]-	214.08736	151.5
[M+Na-2H]-	236.06931	157.5
[M]+	215.09409	150.9
[M]-	215.09519	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe