CID 81340155

5-cyclopropylcyclohexane-1,3-dione

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

C1CC1C2CC(=O)CC(=O)C2

InChI

InChI=1S/C9H12O2/c10-8-3-7(6-1-2-6)4-9(11)5-8/h6-7H,1-5H2

InChIKey

HODUOLKLCSAVBB-UHFFFAOYSA-N

Compound name

5-cyclopropylcyclohexane-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 152.08372 Da
Monoisotopic Mass: 1.0
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]+	153.09100	132.9
[M+Na]+	175.07294	145.7
[M+NH4]+	170.11754	142.3
[M+K]+	191.04688	141.0
[M-H]-	151.07644	142.6
[M+Na-2H]-	173.05839	141.1
[M]+	152.08317	138.4
[M]-	152.08427	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.