CID 22235151

Benzyl methoxyethyl acetal

Structural Information

Molecular Formula

C₁₂H₁₈O₃

SMILES

CC(OCCOC)OCC1=CC=CC=C1

InChI

InChI=1S/C12H18O3/c1-11(14-9-8-13-2)15-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3

InChIKey

CNGTXGHYZBQUQS-UHFFFAOYSA-N

Compound name

1-(2-methoxyethoxy)ethoxymethylbenzene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 984
Patents: 210.1256 Da
Monoisotopic Mass: 1.8
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	147.4
[M+Na]+	233.11482	159.1
[M+NH4]+	228.15942	155.3
[M+K]+	249.08876	152.6
[M-H]-	209.11832	149.0
[M+Na-2H]-	231.10027	153.7
[M]+	210.12505	149.4
[M]-	210.12615	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe