CID 60995

101-48-4

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

COC(CC1=CC=CC=C1)OC

InChI

InChI=1S/C10H14O2/c1-11-10(12-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3

InChIKey

WNJSKZBEWNVKGU-UHFFFAOYSA-N

Compound name

2,2-dimethoxyethylbenzene

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 2
References: 9188
Patents: 166.09938 Da
Monoisotopic Mass: 2.1
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]+	167.10666	135.4
[M+Na]+	189.08860	142.1
[M-H]-	165.09210	138.9
[M+NH4]+	184.13320	156.0
[M+K]+	205.06254	141.5
[M+H-H2O]+	149.09664	129.5
[M+HCOO]-	211.09758	159.2
[M+CH3COO]-	225.11323	179.3
[M+Na-2H]-	187.07405	141.9
[M]+	166.09883	138.0
[M]-	166.09993	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe