CID 18093

2972-84-1

Structural Information

Molecular Formula

C₁₄H₈N₂

SMILES

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

InChI

InChI=1S/C14H8N2/c15-9-12(10-16)7-11-5-6-13-3-1-2-4-14(13)8-11/h1-8H

InChIKey

UETSUBDMYFNYDL-UHFFFAOYSA-N

Compound name

2-(naphthalen-2-ylmethylidene)propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 204.06874 Da
Monoisotopic Mass: 3.6
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]+	205.07602	176.2
[M+Na]+	227.05796	186.1
[M+NH4]+	222.10256	177.7
[M+K]+	243.03190	173.9
[M-H]-	203.06146	167.2
[M+Na-2H]-	225.04341	176.0
[M]+	204.06819	173.9
[M]-	204.06929	173.9

Literature stripe

literature stripe

Patent stripe

patents stripe