CID 112971

2h-pyran-2-one, 4-cyclohexyltetrahydro-

Structural Information

Molecular Formula

C₁₁H₁₈O₂

SMILES

C1CCC(CC1)C2CCOC(=O)C2

InChI

InChI=1S/C11H18O2/c12-11-8-10(6-7-13-11)9-4-2-1-3-5-9/h9-10H,1-8H2

InChIKey

ZRQYQZPQEMHNPP-UHFFFAOYSA-N

Compound name

4-cyclohexyloxan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 182.13068 Da
Monoisotopic Mass: 3.2
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]+	183.13796	142.2
[M+Na]+	205.11990	153.2
[M+NH4]+	200.16450	151.6
[M+K]+	221.09384	146.7
[M-H]-	181.12340	147.5
[M+Na-2H]-	203.10535	147.6
[M]+	182.13013	145.1
[M]-	182.13123	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe