CID 63332135

2,7-dioxaspiro[4.4]nonane-1,3-dione

Structural Information

Molecular Formula
C7H8O4
SMILES
C1COCC12CC(=O)OC2=O
InChI
InChI=1S/C7H8O4/c8-5-3-7(6(9)11-5)1-2-10-4-7/h1-4H2
InChIKey
SVAOMOXYUFPORO-UHFFFAOYSA-N
Compound name
2,7-dioxaspiro[4.4]nonane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

156.04225 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04953 129.5
[M+Na]+ 179.03147 138.5
[M+NH4]+ 174.07607 138.8
[M+K]+ 195.00541 136.8
[M-H]- 155.03497 132.7
[M+Na-2H]- 177.01692 133.2
[M]+ 156.04170 131.5
[M]- 156.04280 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