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]+ 141.05463 124.1
[M+Na]+ 163.03657 132.3
[M-H]- 139.04007 131.2
[M+NH4]+ 158.08117 148.5
[M+K]+ 179.01051 133.9
[M+H-H2O]+ 123.04461 120.7
[M+HCOO]- 185.04555 146.9
[M+CH3COO]- 199.06120 167.7
[M+Na-2H]- 161.02202 131.7
[M]+ 140.04680 123.8
[M]- 140.04790 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.