CID 459519

177202-83-4

Structural Information

Molecular Formula

C₁₁H₁₀N₂

SMILES

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

InChI

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

InChIKey

MTYHJHATMPCNLW-UHFFFAOYSA-N

Compound name

2-pyridin-3-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
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	135.6
[M+Na]+	193.07362	150.8
[M+NH4]+	188.11822	145.3
[M+K]+	209.04756	142.8
[M-H]-	169.07712	141.1
[M+Na-2H]-	191.05907	146.7
[M]+	170.08385	139.4
[M]-	170.08495	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe