CID 16217700

4'-ethoxy-2'-hydroxy-3'-methylacetophenone

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

CCOC1=C(C(=C(C=C1)C(=O)C)O)C

InChI

InChI=1S/C11H14O3/c1-4-14-10-6-5-9(8(3)12)11(13)7(10)2/h5-6,13H,4H2,1-3H3

InChIKey

JZJNFRYRYWLJBP-UHFFFAOYSA-N

Compound name

1-(4-ethoxy-2-hydroxy-3-methylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 194.0943 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]+	195.10158	141.4
[M+Na]+	217.08352	153.9
[M+NH4]+	212.12812	148.9
[M+K]+	233.05746	148.5
[M-H]-	193.08702	142.4
[M+Na-2H]-	215.06897	146.6
[M]+	194.09375	143.4
[M]-	194.09485	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe