CID 6846

1-naphthonitrile

Structural Information

Molecular Formula

C₁₁H₇N

SMILES

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

InChI

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

InChIKey

YJMNOKOLADGBKA-UHFFFAOYSA-N

Compound name

naphthalene-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 2626
Patents: 153.05785 Da
Monoisotopic Mass: 3.3
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	135.0
[M+Na]+	176.04707	149.8
[M+NH4]+	171.09167	142.1
[M+K]+	192.02101	138.2
[M-H]-	152.05057	131.8
[M+Na-2H]-	174.03252	141.3
[M]+	153.05730	135.6
[M]-	153.05840	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe