CID 11521202

3-(pyridin-4-yloxy)aniline

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

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

InChI

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

InChIKey

CMKRVXYQYUODSA-UHFFFAOYSA-N

Compound name

3-pyridin-4-yloxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 186.07932 Da
Monoisotopic Mass: 1.4
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	137.9
[M+Na]+	209.06854	146.0
[M-H]-	185.07204	143.1
[M+NH4]+	204.11314	155.6
[M+K]+	225.04248	142.6
[M+H-H2O]+	169.07658	130.0
[M+HCOO]-	231.07752	162.7
[M+CH3COO]-	245.09317	183.0
[M+Na-2H]-	207.05399	146.5
[M]+	186.07877	136.6
[M]-	186.07987	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe