CID 24729915

887974-96-1

Structural Information

Molecular Formula

C₁₃H₁₃NO₂

SMILES

COC1=CC=C(C=C1)C2=NC=C(C=C2)CO

InChI

InChI=1S/C13H13NO2/c1-16-12-5-3-11(4-6-12)13-7-2-10(9-15)8-14-13/h2-8,15H,9H2,1H3

InChIKey

ALTSPZPVYXVOSW-UHFFFAOYSA-N

Compound name

[6-(4-methoxyphenyl)pyridin-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 215.09464 Da
Monoisotopic Mass: 1.6
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	147.3
[M+Na]+	238.08386	162.6
[M+NH4]+	233.12846	155.9
[M+K]+	254.05780	155.0
[M-H]-	214.08736	151.3
[M+Na-2H]-	236.06931	157.0
[M]+	215.09409	150.7
[M]-	215.09519	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe