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

49
Patents

182.0943 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.101576 137.4
[M+Na]+ 205.083518 142.7
[M-H]- 181.087024 142.9
[M+NH4]+ 200.128123 157.9
[M+K]+ 221.057458 142.5
[M+H-H2O]+ 165.091560 131.8
[M+HCOO]- 227.092501 154.6
[M+CH3COO]- 241.108151 177.6
[M+Na-2H]- 203.068966 143.7
[M]+ 182.09375142 131.5
[M]- 182.09484858 131.5
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