CID 459517

3-(2-pyridyl)aniline

Structural Information

Molecular Formula

C₁₁H₁₀N₂

SMILES

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

InChI

InChI=1S/C11H10N2/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h1-8H,12H2

InChIKey

YLNMGMIEOWFPRX-UHFFFAOYSA-N

Compound name

3-pyridin-2-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 345
Patents: 170.0844 Da
Monoisotopic Mass: 1.9
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]+	171.09168	134.6
[M+Na]+	193.07362	142.8
[M-H]-	169.07712	139.8
[M+NH4]+	188.11822	153.0
[M+K]+	209.04756	138.9
[M+H-H2O]+	153.08166	127.0
[M+HCOO]-	215.08260	159.2
[M+CH3COO]-	229.09825	148.1
[M+Na-2H]-	191.05907	143.2
[M]+	170.08385	131.8
[M]-	170.08495	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe