CID 638759

3,4'-dihydroxypropiophenone

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

C1=CC(=CC=C1C(=O)CCO)O

InChI

InChI=1S/C9H10O3/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2

InChIKey

LTEPZFZSPZASKJ-UHFFFAOYSA-N

Compound name

3-hydroxy-1-(4-hydroxyphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 45
Patents: 166.06299 Da
Monoisotopic Mass: 0.8
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	133.8
[M+Na]+	189.05221	145.4
[M+NH4]+	184.09681	141.2
[M+K]+	205.02615	140.4
[M-H]-	165.05571	134.2
[M+Na-2H]-	187.03766	139.3
[M]+	166.06244	135.3
[M]-	166.06354	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe