CID 3086443

1-(2-methoxyethoxy)-4-methylbenzene

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC1=CC=C(C=C1)OCCOC

InChI

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

InChIKey

DOSUSQYYROSQFJ-UHFFFAOYSA-N

Compound name

1-(2-methoxyethoxy)-4-methylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 320
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	134.6
[M+Na]+	189.08860	147.9
[M+NH4]+	184.13320	143.6
[M+K]+	205.06254	140.8
[M-H]-	165.09210	137.1
[M+Na-2H]-	187.07405	142.1
[M]+	166.09883	137.2
[M]-	166.09993	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe