CID 96328

(2,2-diethoxyethoxy)benzene

Structural Information

Molecular Formula

C₁₂H₁₈O₃

SMILES

CCOC(COC1=CC=CC=C1)OCC

InChI

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

InChIKey

IISGAJPGMKEIAZ-UHFFFAOYSA-N

Compound name

2,2-diethoxyethoxybenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 136
Patents: 210.1256 Da
Monoisotopic Mass: 2.5
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	148.0
[M+Na]+	233.114818	153.7
[M-H]-	209.118324	151.0
[M+NH4]+	228.159423	166.6
[M+K]+	249.088758	153.2
[M+H-H2O]+	193.122860	141.3
[M+HCOO]-	255.123801	171.3
[M+CH3COO]-	269.139451	187.3
[M+Na-2H]-	231.100266	153.3
[M]+	210.12505142	152.7
[M]-	210.12614858	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe