CID 12673493

2-(pyridin-3-yloxy)aniline

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

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

InChI

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

InChIKey

TXZXPJOTSAXPBZ-UHFFFAOYSA-N

Compound name

2-pyridin-3-yloxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
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