CID 66680003

3-oxaspiro[5.5]undecane-8,10-dione

Structural Information

Molecular Formula
C10H14O3
SMILES
C1COCCC12CC(=O)CC(=O)C2
InChI
InChI=1S/C10H14O3/c11-8-5-9(12)7-10(6-8)1-3-13-4-2-10/h1-7H2
InChIKey
OUGJIWKLAIOBCQ-UHFFFAOYSA-N
Compound name
3-oxaspiro[5.5]undecane-8,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

182.0943 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 140.0
[M+Na]+ 205.08352 150.8
[M+NH4]+ 200.12812 150.2
[M+K]+ 221.05746 143.3
[M-H]- 181.08702 144.0
[M+Na-2H]- 203.06897 145.9
[M]+ 182.09375 142.6
[M]- 182.09485 142.6
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

patents stripe