CID 28413

17229-42-4

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₂

SMILES

CCOC1=C(C=C(C=C1)C=C(C#N)C#N)OC

InChI

InChI=1S/C13H12N2O2/c1-3-17-12-5-4-10(7-13(12)16-2)6-11(8-14)9-15/h4-7H,3H2,1-2H3

InChIKey

BHNNTPFLKFAPCD-UHFFFAOYSA-N

Compound name

2-[(4-ethoxy-3-methoxyphenyl)methylidene]propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 228.08987 Da
Monoisotopic Mass: 2.3
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]+	229.09715	172.9
[M+Na]+	251.07909	181.4
[M+NH4]+	246.12369	173.1
[M+K]+	267.05303	170.9
[M-H]-	227.08259	162.7
[M+Na-2H]-	249.06454	171.8
[M]+	228.08932	169.9
[M]-	228.09042	169.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe