CID 132342130

1,7-dioxaspiro[4.4]non-2-en-4-one

Structural Information

Molecular Formula
C7H8O3
SMILES
C1COCC12C(=O)C=CO2
InChI
InChI=1S/C7H8O3/c8-6-1-3-10-7(6)2-4-9-5-7/h1,3H,2,4-5H2
InChIKey
IPVWSDYFTYKLQA-UHFFFAOYSA-N
Compound name
1,7-dioxaspiro[4.4]non-2-en-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.04735 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.054626 124.1
[M+Na]+ 163.036568 132.3
[M-H]- 139.040074 131.2
[M+NH4]+ 158.081173 148.5
[M+K]+ 179.010508 133.9
[M+H-H2O]+ 123.044610 120.7
[M+HCOO]- 185.045551 146.9
[M+CH3COO]- 199.061201 167.7
[M+Na-2H]- 161.022016 131.7
[M]+ 140.04680142 123.8
[M]- 140.04789858 123.8
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.