CID 81340922

5-cyclobutylcyclohexane-1,3-dione

Structural Information

Molecular Formula
C10H14O2
SMILES
C1CC(C1)C2CC(=O)CC(=O)C2
InChI
InChI=1S/C10H14O2/c11-9-4-8(5-10(12)6-9)7-2-1-3-7/h7-8H,1-6H2
InChIKey
UPNCRMWGBJDUAY-UHFFFAOYSA-N
Compound name
5-cyclobutylcyclohexane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.09938 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.10666 136.1
[M+Na]+ 189.08860 142.6
[M+NH4]+ 184.13320 141.0
[M+K]+ 205.06254 138.5
[M-H]- 165.09210 136.3
[M+Na-2H]- 187.07405 139.0
[M]+ 166.09883 135.7
[M]- 166.09993 135.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.