CID 12081724

1-[4-(2-methoxyethoxy)phenyl]ethan-1-one

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

CC(=O)C1=CC=C(C=C1)OCCOC

InChI

InChI=1S/C11H14O3/c1-9(12)10-3-5-11(6-4-10)14-8-7-13-2/h3-6H,7-8H2,1-2H3

InChIKey

GLPSAHHQQBCBEN-UHFFFAOYSA-N

Compound name

1-[4-(2-methoxyethoxy)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 194.0943 Da
Monoisotopic Mass: 1.4
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]+	195.10158	141.6
[M+Na]+	217.08352	153.9
[M+NH4]+	212.12812	149.4
[M+K]+	233.05746	147.8
[M-H]-	193.08702	143.1
[M+Na-2H]-	215.06897	147.9
[M]+	194.09375	143.7
[M]-	194.09485	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe