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

7
Patents

156.04225 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.049526 126.9
[M+Na]+ 179.031468 135.2
[M-H]- 155.034974 134.0
[M+NH4]+ 174.076073 150.8
[M+K]+ 195.005408 136.7
[M+H-H2O]+ 139.039510 123.9
[M+HCOO]- 201.040451 148.5
[M+CH3COO]- 215.056101 170.5
[M+Na-2H]- 177.016916 133.2
[M]+ 156.04170142 126.4
[M]- 156.04279858 126.4
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