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 129.4
[M+Na]+ 189.08860 134.1
[M-H]- 165.09210 135.5
[M+NH4]+ 184.13320 143.4
[M+K]+ 205.06254 135.7
[M+H-H2O]+ 149.09664 118.9
[M+HCOO]- 211.09758 148.6
[M+CH3COO]- 225.11323 181.7
[M+Na-2H]- 187.07405 132.9
[M]+ 166.09883 133.6
[M]- 166.09993 133.6
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.