CID 42828

4-amino-1-naphthalenecarbonitrile

Structural Information

Molecular Formula

C₁₁H₈N₂

SMILES

C1=CC=C2C(=C1)C(=CC=C2N)C#N

InChI

InChI=1S/C11H8N2/c12-7-8-5-6-11(13)10-4-2-1-3-9(8)10/h1-6H,13H2

InChIKey

LUSIZUFVMKYWGX-UHFFFAOYSA-N

Compound name

4-aminonaphthalene-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 304
Patents: 168.06874 Da
Monoisotopic Mass: 2.2
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]+	169.07602	139.7
[M+Na]+	191.05796	153.3
[M+NH4]+	186.10256	146.1
[M+K]+	207.03190	142.5
[M-H]-	167.06146	136.5
[M+Na-2H]-	189.04341	144.9
[M]+	168.06819	140.0
[M]-	168.06929	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe