CID 734008

1-(4-isopropoxyphenyl)ethanone

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

CC(C)OC1=CC=C(C=C1)C(=O)C

InChI

InChI=1S/C11H14O2/c1-8(2)13-11-6-4-10(5-7-11)9(3)12/h4-8H,1-3H3

InChIKey

YTKFPAFKJWBAFG-UHFFFAOYSA-N

Compound name

1-(4-propan-2-yloxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 150
Patents: 178.09938 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]+	179.10666	138.5
[M+Na]+	201.08860	151.0
[M+NH4]+	196.13320	146.9
[M+K]+	217.06254	145.2
[M-H]-	177.09210	140.3
[M+Na-2H]-	199.07405	144.9
[M]+	178.09883	140.8
[M]-	178.09993	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe