CID 69884

(diethoxymethyl)benzene

Structural Information

Molecular Formula

C₁₁H₁₆O₂

SMILES

CCOC(C1=CC=CC=C1)OCC

InChI

InChI=1S/C11H16O2/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3

InChIKey

MAQMEXSLUSZDQM-UHFFFAOYSA-N

Compound name

diethoxymethylbenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 666
Patents: 180.11504 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]+	181.12232	140.2
[M+Na]+	203.10426	146.4
[M-H]-	179.10776	143.4
[M+NH4]+	198.14886	160.1
[M+K]+	219.07820	145.6
[M+H-H2O]+	163.11230	134.0
[M+HCOO]-	225.11324	163.6
[M+CH3COO]-	239.12889	182.3
[M+Na-2H]-	201.08971	146.1
[M]+	180.11449	143.1
[M]-	180.11559	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe