CID 1550958

6443-72-7

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

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

InChI

InChI=1S/C11H11NO2/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h3-6,8H,1-2H3/b4-3+

InChIKey

WGPTVEZJYRFEGT-ONEGZZNKSA-N

Compound name

(E)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 86
Patents: 189.07898 Da
Monoisotopic Mass: 1.6
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]+	190.08626	140.6
[M+Na]+	212.06820	153.1
[M+NH4]+	207.11280	145.2
[M+K]+	228.04214	143.3
[M-H]-	188.07170	135.2
[M+Na-2H]-	210.05365	144.6
[M]+	189.07843	140.0
[M]-	189.07953	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe