CID 11092

Paeonol

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

CC(=O)C1=C(C=C(C=C1)OC)O

InChI

InChI=1S/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H3

InChIKey

UILPJVPSNHJFIK-UHFFFAOYSA-N

Compound name

1-(2-hydroxy-4-methoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 521
References: 5744
Patents: 166.06299 Da
Monoisotopic Mass: 2.0
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]+	167.07027	131.4
[M+Na]+	189.05221	140.2
[M-H]-	165.05571	134.5
[M+NH4]+	184.09681	151.7
[M+K]+	205.02615	139.0
[M+H-H2O]+	149.06025	126.3
[M+HCOO]-	211.06119	154.4
[M+CH3COO]-	225.07684	177.0
[M+Na-2H]-	187.03766	136.6
[M]+	166.06244	133.3
[M]-	166.06354	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe