CID 18090

2972-78-3

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₂

SMILES

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

InChI

InChI=1S/C12H10N2O2/c1-15-11-4-3-10(12(6-11)16-2)5-9(7-13)8-14/h3-6H,1-2H3

InChIKey

VNSYEOGIEARFNL-UHFFFAOYSA-N

Compound name

2-[(2,4-dimethoxyphenyl)methylidene]propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 214.07423 Da
Monoisotopic Mass: 1.9
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]+	215.081506	157.4
[M+Na]+	237.063448	167.4
[M-H]-	213.066954	161.1
[M+NH4]+	232.108053	169.9
[M+K]+	253.037388	164.1
[M+H-H2O]+	197.071490	142.4
[M+HCOO]-	259.072431	170.0
[M+CH3COO]-	273.088081	218.8
[M+Na-2H]-	235.048896	158.8
[M]+	214.07368142	151.2
[M]-	214.07477858	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe