CID 120521

2-methyl-6-phenyl-4h-pyran-4-one

Structural Information

Molecular Formula

C₁₂H₁₀O₂

SMILES

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

InChI

InChI=1S/C12H10O2/c1-9-7-11(13)8-12(14-9)10-5-3-2-4-6-10/h2-8H,1H3

InChIKey

PEYODCCEJQCEBL-UHFFFAOYSA-N

Compound name

2-methyl-6-phenylpyran-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 186.06808 Da
Monoisotopic Mass: 2.1
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]+	187.07536	136.4
[M+Na]+	209.05730	153.2
[M+NH4]+	204.10190	146.0
[M+K]+	225.03124	145.5
[M-H]-	185.06080	142.9
[M+Na-2H]-	207.04275	147.0
[M]+	186.06753	140.9
[M]-	186.06863	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe