CID 459518

4-(pyridin-2-yl)aniline

Structural Information

Molecular Formula

C₁₁H₁₀N₂

SMILES

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

InChI

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

InChIKey

BXYRAPNURYRQSP-UHFFFAOYSA-N

Compound name

4-pyridin-2-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 469
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]+	171.091676	134.6
[M+Na]+	193.073618	142.8
[M-H]-	169.077124	139.8
[M+NH4]+	188.118223	153.0
[M+K]+	209.047558	138.9
[M+H-H2O]+	153.081660	127.0
[M+HCOO]-	215.082601	159.2
[M+CH3COO]-	229.098251	148.1
[M+Na-2H]-	191.059066	143.2
[M]+	170.08385142	131.8
[M]-	170.08494858	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe