CID 116771

69833-17-6

Structural Information

Molecular Formula

C₁₄H₁₂N₂

SMILES

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

InChI

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

InChIKey

ICAAICSDOCMEKS-UHFFFAOYSA-N

Compound name

2-(4-aminophenyl)-2-phenylacetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 208.10005 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]+	209.10733	152.5
[M+Na]+	231.08927	165.8
[M+NH4]+	226.13387	158.2
[M+K]+	247.06321	154.8
[M-H]-	207.09277	150.4
[M+Na-2H]-	229.07472	159.1
[M]+	208.09950	153.0
[M]-	208.10060	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe