CID 459523

40034-44-4

Structural Information

Molecular Formula

C₁₁H₁₀N₂

SMILES

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

InChI

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

InChIKey

BDSBSHZVSVKIHM-UHFFFAOYSA-N

Compound name

3-pyridin-4-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 260
Patents: 170.0844 Da
Monoisotopic Mass: 1.8
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