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: 21
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]+	195.101576	139.9
[M+Na]+	217.083518	148.8
[M-H]-	193.087024	143.0
[M+NH4]+	212.128123	159.4
[M+K]+	233.057458	147.1
[M+H-H2O]+	177.091560	134.7
[M+HCOO]-	239.092501	162.2
[M+CH3COO]-	253.108151	184.3
[M+Na-2H]-	215.068966	143.4
[M]+	194.09375142	142.9
[M]-	194.09484858	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe