CID 14678734

73399-92-5

Structural Information

Molecular Formula

C₁₁H₈N₂

SMILES

C1=CC2=C(C=CC(=C2)C#N)C(=C1)N

InChI

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

InChIKey

XNCQQTJNDIPSKS-UHFFFAOYSA-N

Compound name

5-aminonaphthalene-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 168.06874 Da
Monoisotopic Mass: 2.0
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]+	169.076016	139.3
[M+Na]+	191.057958	150.8
[M-H]-	167.061464	143.1
[M+NH4]+	186.102563	158.5
[M+K]+	207.031898	145.0
[M+H-H2O]+	151.066000	127.2
[M+HCOO]-	213.066941	159.7
[M+CH3COO]-	227.082591	151.6
[M+Na-2H]-	189.043406	146.5
[M]+	168.06819142	132.7
[M]-	168.06928858	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe