CID 18092

(1-naphthylmethylene)malononitrile

Structural Information

Molecular Formula

C₁₄H₈N₂

SMILES

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

InChI

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

InChIKey

HNVAUTUJXUMGPH-UHFFFAOYSA-N

Compound name

2-(naphthalen-1-ylmethylidene)propanedinitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 15
Patents: 204.06874 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]+	205.07602	163.8
[M+Na]+	227.05796	174.6
[M-H]-	203.06146	167.2
[M+NH4]+	222.10256	176.8
[M+K]+	243.03190	166.9
[M+H-H2O]+	187.06600	148.6
[M+HCOO]-	249.06694	175.3
[M+CH3COO]-	263.08259	171.0
[M+Na-2H]-	225.04341	166.2
[M]+	204.06819	154.9
[M]-	204.06929	154.9

Literature stripe

literature stripe

Patent stripe

patents stripe