CID 15091342

3-(pyridin-4-yl)phenol

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C11H9NO/c13-11-3-1-2-10(8-11)9-4-6-12-7-5-9/h1-8,13H

InChIKey

PHCYRGIPHDLGCF-UHFFFAOYSA-N

Compound name

3-pyridin-4-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 171.06842 Da
Monoisotopic Mass: 2.2
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]+	172.07570	135.1
[M+Na]+	194.05764	150.9
[M+NH4]+	189.10224	144.6
[M+K]+	210.03158	143.1
[M-H]-	170.06114	139.6
[M+Na-2H]-	192.04309	146.0
[M]+	171.06787	138.8
[M]-	171.06897	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe