CID 21285582

3-(pyridin-3-yloxy)aniline

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

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

InChI

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

InChIKey

PCNTXUIVKMMPKB-UHFFFAOYSA-N

Compound name

3-pyridin-3-yloxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 164
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]+	187.08660	138.9
[M+Na]+	209.06854	153.7
[M+NH4]+	204.11314	148.0
[M+K]+	225.04248	146.2
[M-H]-	185.07204	143.9
[M+Na-2H]-	207.05399	149.6
[M]+	186.07877	142.5
[M]-	186.07987	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe