CID 19858323

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

Structural Information

Molecular Formula

C₁₂H₁₆O₂

SMILES

CC1=CC(=O)OC(=C1)C2CCCCC2

InChI

InChI=1S/C12H16O2/c1-9-7-11(14-12(13)8-9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3

InChIKey

GPKRKAFTZYODFF-UHFFFAOYSA-N

Compound name

6-cyclohexyl-4-methylpyran-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 192.11504 Da
Monoisotopic Mass: 2.9
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]+	193.12232	141.1
[M+Na]+	215.10426	155.1
[M+NH4]+	210.14886	150.5
[M+K]+	231.07820	148.0
[M-H]-	191.10776	147.0
[M+Na-2H]-	213.08971	148.9
[M]+	192.11449	144.8
[M]-	192.11559	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe