CID 43143373

1152564-20-9

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

C1=CC(=CC=C1O)OCC2=CC=NC=C2

InChI

InChI=1S/C12H11NO2/c14-11-1-3-12(4-2-11)15-9-10-5-7-13-8-6-10/h1-8,14H,9H2

InChIKey

IQWXVGMUFOPNOC-UHFFFAOYSA-N

Compound name

4-(pyridin-4-ylmethoxy)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 201.07898 Da
Monoisotopic Mass: 2.0
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]+	202.086256	141.9
[M+Na]+	224.068198	149.8
[M-H]-	200.071704	146.0
[M+NH4]+	219.112803	158.8
[M+K]+	240.042138	146.4
[M+H-H2O]+	184.076240	134.1
[M+HCOO]-	246.077181	164.6
[M+CH3COO]-	260.092831	181.3
[M+Na-2H]-	222.053646	150.0
[M]+	201.07843142	142.1
[M]-	201.07952858	142.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.