CID 138991363

3,9-dioxaspiro[5.5]undecane-2,4-dione

Structural Information

Molecular Formula
C9H12O4
SMILES
C1COCCC12CC(=O)OC(=O)C2
InChI
InChI=1S/C9H12O4/c10-7-5-9(6-8(11)13-7)1-3-12-4-2-9/h1-6H2
InChIKey
DMPPXQOLVMGDAS-UHFFFAOYSA-N
Compound name
3,9-dioxaspiro[5.5]undecane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.07356 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08084 135.5
[M+Na]+ 207.06278 141.3
[M-H]- 183.06628 141.9
[M+NH4]+ 202.10738 154.6
[M+K]+ 223.03672 142.8
[M+H-H2O]+ 167.07082 130.0
[M+HCOO]- 229.07176 152.3
[M+CH3COO]- 243.08741 177.0
[M+Na-2H]- 205.04823 143.4
[M]+ 184.07301 131.5
[M]- 184.07411 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

No patent data available for this compound.