CID 130392

125210-89-1

Structural Information

Molecular Formula

C₁₃H₁₀N₂O

SMILES

COC1=CC=C(C=C1)C=C=C(CC#N)C#N

InChI

InChI=1S/C13H10N2O/c1-16-13-6-4-11(5-7-13)2-3-12(10-15)8-9-14/h2,4-7H,8H2,1H3

InChIKey

JJOYNCBCVLMZSU-UHFFFAOYSA-N

Compound name

2-[2-(4-methoxyphenyl)ethenylidene]butanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 210.07932 Da
Monoisotopic Mass: 1.3
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]+	211.086596	160.9
[M+Na]+	233.068538	170.5
[M-H]-	209.072044	164.2
[M+NH4]+	228.113143	173.3
[M+K]+	249.042478	165.8
[M+H-H2O]+	193.076580	145.6
[M+HCOO]-	255.077521	173.2
[M+CH3COO]-	269.093171	217.7
[M+Na-2H]-	231.053986	162.1
[M]+	210.07877142	153.2
[M]-	210.07986858	153.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.