CID 3934769

3-ethoxy-4-methoxybenzonitrile

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

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

InChI

InChI=1S/C10H11NO2/c1-3-13-10-6-8(7-11)4-5-9(10)12-2/h4-6H,3H2,1-2H3

InChIKey

XTIINWPNAMHVDG-UHFFFAOYSA-N

Compound name

3-ethoxy-4-methoxybenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 121
Patents: 177.07898 Da
Monoisotopic Mass: 2.2
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]+	178.08626	136.5
[M+Na]+	200.06820	149.1
[M+NH4]+	195.11280	141.5
[M+K]+	216.04214	139.7
[M-H]-	176.07170	131.3
[M+Na-2H]-	198.05365	140.9
[M]+	177.07843	136.0
[M]-	177.07953	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe