CID 80584

(2,2-diethoxyethyl)benzene

Structural Information

Molecular Formula

C₁₂H₁₈O₂

SMILES

CCOC(CC1=CC=CC=C1)OCC

InChI

InChI=1S/C12H18O2/c1-3-13-12(14-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3

InChIKey

FYERTDTXGGOMGT-UHFFFAOYSA-N

Compound name

2,2-diethoxyethylbenzene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 2978
Patents: 194.13068 Da
Monoisotopic Mass: 2.8
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]+	195.13796	144.3
[M+Na]+	217.11990	156.5
[M+NH4]+	212.16450	152.9
[M+K]+	233.09384	149.5
[M-H]-	193.12340	146.5
[M+Na-2H]-	215.10535	151.1
[M]+	194.13013	146.7
[M]-	194.13123	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe