CID 16217475

2-naphthyl isocyanide

Structural Information

Molecular Formula

C₁₁H₇N

SMILES

[C-]#[N+]C1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C11H7N/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H

InChIKey

ZZKQDMRCHFQQCQ-UHFFFAOYSA-N

Compound name

2-isocyanonaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 173
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	138.3
[M+Na]+	176.04707	149.2
[M-H]-	152.05057	141.0
[M+NH4]+	171.09167	157.4
[M+K]+	192.02101	138.4
[M+H-H2O]+	136.05511	130.9
[M+HCOO]-	198.05605	157.5
[M+CH3COO]-	212.07170	181.4
[M+Na-2H]-	174.03252	147.3
[M]+	153.05730	129.8
[M]-	153.05840	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe