CID 2737101

2-oxaspiro[4.5]decane-1,3-dione

Structural Information

Molecular Formula
C9H12O3
SMILES
C1CCC2(CC1)CC(=O)OC2=O
InChI
InChI=1S/C9H12O3/c10-7-6-9(8(11)12-7)4-2-1-3-5-9/h1-6H2
InChIKey
MIASZRJCZPRMBI-UHFFFAOYSA-N
Compound name
2-oxaspiro[4.5]decane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

168.07864 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08592 133.3
[M+Na]+ 191.06786 140.0
[M-H]- 167.07136 139.2
[M+NH4]+ 186.11246 156.3
[M+K]+ 207.04180 139.7
[M+H-H2O]+ 151.07590 128.7
[M+HCOO]- 213.07684 153.0
[M+CH3COO]- 227.09249 174.1
[M+Na-2H]- 189.05331 138.7
[M]+ 168.07809 129.2
[M]- 168.07919 129.2
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