CID 12266586

2,4-diethoxytoluene

Structural Information

Molecular Formula

C₁₁H₁₆O₂

SMILES

CCOC1=CC(=C(C=C1)C)OCC

InChI

InChI=1S/C11H16O2/c1-4-12-10-7-6-9(3)11(8-10)13-5-2/h6-8H,4-5H2,1-3H3

InChIKey

UAKLAMRGOJLCEP-UHFFFAOYSA-N

Compound name

2,4-diethoxy-1-methylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 180.11504 Da
Monoisotopic Mass: 3.5
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	138.2
[M+Na]+	203.10426	146.7
[M-H]-	179.10776	142.3
[M+NH4]+	198.14886	159.0
[M+K]+	219.07820	145.5
[M+H-H2O]+	163.11230	132.6
[M+HCOO]-	225.11324	162.7
[M+CH3COO]-	239.12889	183.7
[M+Na-2H]-	201.08971	144.1
[M]+	180.11449	142.6
[M]-	180.11559	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe