CID 54693702

2h-pyran-2-one, 4-hydroxy-6-methyl-3-phenyl-

Structural Information

Molecular Formula

C₁₂H₁₀O₃

SMILES

CC1=CC(=C(C(=O)O1)C2=CC=CC=C2)O

InChI

InChI=1S/C12H10O3/c1-8-7-10(13)11(12(14)15-8)9-5-3-2-4-6-9/h2-7,13H,1H3

InChIKey

LSFOIAPJPYDIBY-UHFFFAOYSA-N

Compound name

4-hydroxy-6-methyl-3-phenylpyran-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 202.06299 Da
Monoisotopic Mass: 2.2
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]+	203.07027	139.3
[M+Na]+	225.05221	149.6
[M-H]-	201.05571	146.6
[M+NH4]+	220.09681	156.9
[M+K]+	241.02615	147.4
[M+H-H2O]+	185.06025	132.9
[M+HCOO]-	247.06119	162.9
[M+CH3COO]-	261.07684	182.3
[M+Na-2H]-	223.03766	146.9
[M]+	202.06244	141.4
[M]-	202.06354	141.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.