CID 60871454

3-(pyridin-4-yloxy)phenol

Structural Information

Molecular Formula

C₁₁H₉NO₂

SMILES

C1=CC(=CC(=C1)OC2=CC=NC=C2)O

InChI

InChI=1S/C11H9NO2/c13-9-2-1-3-11(8-9)14-10-4-6-12-7-5-10/h1-8,13H

InChIKey

NTTLFLJSHFIPGC-UHFFFAOYSA-N

Compound name

3-pyridin-4-yloxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 187.06332 Da
Monoisotopic Mass: 2.1
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]+	188.07060	137.2
[M+Na]+	210.05254	145.6
[M-H]-	186.05604	141.6
[M+NH4]+	205.09714	154.7
[M+K]+	226.02648	142.4
[M+H-H2O]+	170.06058	129.7
[M+HCOO]-	232.06152	160.3
[M+CH3COO]-	246.07717	178.3
[M+Na-2H]-	208.03799	145.9
[M]+	187.06277	137.1
[M]-	187.06387	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe