CID 74899

1,3-diethoxybenzene

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CCOC1=CC(=CC=C1)OCC

InChI

InChI=1S/C10H14O2/c1-3-11-9-6-5-7-10(8-9)12-4-2/h5-8H,3-4H2,1-2H3

InChIKey

MKGFYMKFBCWNCP-UHFFFAOYSA-N

Compound name

1,3-diethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1366
Patents: 166.09938 Da
Monoisotopic Mass: 2.9
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]+	167.10666	134.6
[M+Na]+	189.08860	147.9
[M+NH4]+	184.13320	143.6
[M+K]+	205.06254	140.8
[M-H]-	165.09210	137.1
[M+Na-2H]-	187.07405	142.1
[M]+	166.09883	137.2
[M]-	166.09993	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe