CID 138987304

1,3-dicyclobutylpropane-1,3-dione

Structural Information

Molecular Formula
C11H16O2
SMILES
C1CC(C1)C(=O)CC(=O)C2CCC2
InChI
InChI=1S/C11H16O2/c12-10(8-3-1-4-8)7-11(13)9-5-2-6-9/h8-9H,1-7H2
InChIKey
PLCBJEVJEIODNM-UHFFFAOYSA-N
Compound name
1,3-di(cyclobutyl)propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.11504 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 133.9
[M+Na]+ 203.10426 135.6
[M-H]- 179.10776 139.2
[M+NH4]+ 198.14886 139.9
[M+K]+ 219.07820 140.5
[M+H-H2O]+ 163.11230 118.9
[M+HCOO]- 225.11324 150.5
[M+CH3COO]- 239.12889 194.6
[M+Na-2H]- 201.08971 135.6
[M]+ 180.11449 147.8
[M]- 180.11559 147.8
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.