CID 2756353

149505-72-6

Structural Information

Molecular Formula

C₁₃H₁₀N₂

SMILES

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

InChI

InChI=1S/C13H10N2/c14-9-10-4-6-11(7-5-10)12-2-1-3-13(15)8-12/h1-8H,15H2

InChIKey

FMVREQADBPVLTH-UHFFFAOYSA-N

Compound name

4-(3-aminophenyl)benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 194.0844 Da
Monoisotopic Mass: 2.6
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]+	195.09168	147.3
[M+Na]+	217.07362	161.4
[M+NH4]+	212.11822	153.3
[M+K]+	233.04756	150.2
[M-H]-	193.07712	145.4
[M+Na-2H]-	215.05907	154.3
[M]+	194.08385	148.1
[M]-	194.08495	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe