CID 13150573

3-(pyridin-2-yloxy)aniline

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

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

InChI

InChI=1S/C11H10N2O/c12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11/h1-8H,12H2

InChIKey

CLQMOPKXIBQKKG-UHFFFAOYSA-N

Compound name

3-pyridin-2-yloxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 83
Patents: 186.07932 Da
Monoisotopic Mass: 1.7
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]+	187.086596	137.9
[M+Na]+	209.068538	146.0
[M-H]-	185.072044	143.1
[M+NH4]+	204.113143	155.6
[M+K]+	225.042478	142.6
[M+H-H2O]+	169.076580	130.0
[M+HCOO]-	231.077521	162.7
[M+CH3COO]-	245.093171	183.0
[M+Na-2H]-	207.053986	146.5
[M]+	186.07877142	136.6
[M]-	186.07986858	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe