CID 58712159

2-(isocyanomethyl)naphthalene

Structural Information

Molecular Formula

C₁₂H₉N

SMILES

[C-]#[N+]CC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C12H9N/c1-13-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2

InChIKey

BDVQAKMFGIDYNF-UHFFFAOYSA-N

Compound name

2-(isocyanomethyl)naphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 167.0735 Da
Monoisotopic Mass: 2.8
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]+	168.08078	138.3
[M+Na]+	190.06272	154.2
[M+NH4]+	185.10732	145.7
[M+K]+	206.03666	143.9
[M-H]-	166.06622	136.2
[M+Na-2H]-	188.04817	144.3
[M]+	167.07295	139.4
[M]-	167.07405	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe