CID 247492

2,6-diethoxytoluene

Structural Information

Molecular Formula

C₁₁H₁₆O₂

SMILES

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

InChI

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

InChIKey

ZJCYULYFGMNBIQ-UHFFFAOYSA-N

Compound name

1,3-diethoxy-2-methylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 180.11504 Da
Monoisotopic Mass: 3.6
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]+	181.12232	138.6
[M+Na]+	203.10426	152.1
[M+NH4]+	198.14886	147.5
[M+K]+	219.07820	145.0
[M-H]-	179.10776	141.2
[M+Na-2H]-	201.08971	145.7
[M]+	180.11449	141.3
[M]-	180.11559	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe