CID 4962152

Spiro[5.5]undecane-2,4-dione

Structural Information

Molecular Formula
C11H16O2
SMILES
C1CCC2(CC1)CC(=O)CC(=O)C2
InChI
InChI=1S/C11H16O2/c12-9-6-10(13)8-11(7-9)4-2-1-3-5-11/h1-8H2
InChIKey
LKFBIHAJCFDIIN-UHFFFAOYSA-N
Compound name
spiro[5.5]undecane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

180.11504 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 139.7
[M+Na]+ 203.10426 144.5
[M-H]- 179.10776 144.4
[M+NH4]+ 198.14886 161.6
[M+K]+ 219.07820 142.6
[M+H-H2O]+ 163.11230 134.0
[M+HCOO]- 225.11324 157.2
[M+CH3COO]- 239.12889 178.5
[M+Na-2H]- 201.08971 144.3
[M]+ 180.11449 132.0
[M]- 180.11559 132.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe