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]+ 185.080836 135.5
[M+Na]+ 207.062778 141.3
[M-H]- 183.066284 141.9
[M+NH4]+ 202.107383 154.6
[M+K]+ 223.036718 142.8
[M+H-H2O]+ 167.070820 130.0
[M+HCOO]- 229.071761 152.3
[M+CH3COO]- 243.087411 177.0
[M+Na-2H]- 205.048226 143.4
[M]+ 184.07301142 131.5
[M]- 184.07410858 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.