CID 3085726

72152-82-0

Structural Information

Molecular Formula

C₁₂H₁₈O₃

SMILES

CCC1=CC=C(C=C1)OCC(OC)OC

InChI

InChI=1S/C12H18O3/c1-4-10-5-7-11(8-6-10)15-9-12(13-2)14-3/h5-8,12H,4,9H2,1-3H3

InChIKey

FNMDHPGYVASXGH-UHFFFAOYSA-N

Compound name

1-(2,2-dimethoxyethoxy)-4-ethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 210.1256 Da
Monoisotopic Mass: 2.6
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]+	211.13288	146.9
[M+Na]+	233.11482	158.9
[M+NH4]+	228.15942	154.8
[M+K]+	249.08876	152.7
[M-H]-	209.11832	148.5
[M+Na-2H]-	231.10027	153.0
[M]+	210.12505	149.0
[M]-	210.12615	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe