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: 3
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]+	211.132876	147.2
[M+Na]+	233.114818	153.9
[M-H]-	209.118324	150.7
[M+NH4]+	228.159423	166.3
[M+K]+	249.088758	153.4
[M+H-H2O]+	193.122860	140.9
[M+HCOO]-	255.123801	170.5
[M+CH3COO]-	269.139451	188.4
[M+Na-2H]-	231.100266	151.9
[M]+	210.12505142	152.4
[M]-	210.12614858	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe