CID 324787

2-(benzylamino)benzonitrile

Structural Information

Molecular Formula

C₁₄H₁₂N₂

SMILES

C1=CC=C(C=C1)CNC2=CC=CC=C2C#N

InChI

InChI=1S/C14H12N2/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12/h1-9,16H,11H2

InChIKey

JNNJQGFCEMZAQR-UHFFFAOYSA-N

Compound name

2-(benzylamino)benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 38
Patents: 208.10005 Da
Monoisotopic Mass: 3.7
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]+	209.10733	152.4
[M+Na]+	231.08927	166.2
[M+NH4]+	226.13387	158.3
[M+K]+	247.06321	154.3
[M-H]-	207.09277	150.6
[M+Na-2H]-	229.07472	159.7
[M]+	208.09950	153.1
[M]-	208.10060	153.1

Literature stripe

literature stripe

Patent stripe

patents stripe