CID 5127598

30566-12-2

Structural Information

Molecular Formula

C₁₂H₁₈O₃

SMILES

CC1=CC(=C(C=C1)C)OCC(OC)OC

InChI

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

InChIKey

MZVRITJAZLFDCG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
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	146.4
[M+Na]+	233.114818	154.0
[M-H]-	209.118324	150.2
[M+NH4]+	228.159423	165.7
[M+K]+	249.088758	153.6
[M+H-H2O]+	193.122860	140.3
[M+HCOO]-	255.123801	169.7
[M+CH3COO]-	269.139451	189.6
[M+Na-2H]-	231.100266	150.4
[M]+	210.12505142	151.9
[M]-	210.12614858	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe