CID 78008

(1,1-dimethoxyethyl)benzene

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC(C1=CC=CC=C1)(OC)OC

InChI

InChI=1S/C10H14O2/c1-10(11-2,12-3)9-7-5-4-6-8-9/h4-8H,1-3H3

InChIKey

XKSUVRWJZCEYQQ-UHFFFAOYSA-N

Compound name

1,1-dimethoxyethylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 11062
Patents: 166.09938 Da
Monoisotopic Mass: 2.7
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	135.3
[M+Na]+	189.08860	147.9
[M+NH4]+	184.13320	144.1
[M+K]+	205.06254	141.8
[M-H]-	165.09210	137.1
[M+Na-2H]-	187.07405	142.9
[M]+	166.09883	137.7
[M]-	166.09993	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe