CID 11944

2-naphthonitrile

Structural Information

Molecular Formula

C₁₁H₇N

SMILES

C1=CC=C2C=C(C=CC2=C1)C#N

InChI

InChI=1S/C11H7N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H

InChIKey

AZKDTTQQTKDXLH-UHFFFAOYSA-N

Compound name

naphthalene-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 4069
Patents: 153.05785 Da
Monoisotopic Mass: 3.2
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]+	154.06513	133.6
[M+Na]+	176.04707	145.3
[M-H]-	152.05057	137.8
[M+NH4]+	171.09167	153.7
[M+K]+	192.02101	139.4
[M+H-H2O]+	136.05511	121.7
[M+HCOO]-	198.05605	153.9
[M+CH3COO]-	212.07170	146.5
[M+Na-2H]-	174.03252	142.4
[M]+	153.05730	128.4
[M]-	153.05840	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe