CID 43608941

2,8-dioxaspiro[4.5]decane-1,3-dione

Structural Information

Molecular Formula
C8H10O4
SMILES
C1COCCC12CC(=O)OC2=O
InChI
InChI=1S/C8H10O4/c9-6-5-8(7(10)12-6)1-3-11-4-2-8/h1-5H2
InChIKey
BPLDSHSHEFQZPP-UHFFFAOYSA-N
Compound name
2,8-dioxaspiro[4.5]decane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

170.0579 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.065176 130.9
[M+Na]+ 193.047118 138.0
[M-H]- 169.050624 137.6
[M+NH4]+ 188.091723 152.4
[M+K]+ 209.021058 139.4
[M+H-H2O]+ 153.055160 126.7
[M+HCOO]- 215.056101 150.1
[M+CH3COO]- 229.071751 173.5
[M+Na-2H]- 191.032566 137.9
[M]+ 170.05735142 128.6
[M]- 170.05844858 128.6
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