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

45
Patents

168.07864 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.085916 133.3
[M+Na]+ 191.067858 140.0
[M-H]- 167.071364 139.2
[M+NH4]+ 186.112463 156.3
[M+K]+ 207.041798 139.7
[M+H-H2O]+ 151.075900 128.7
[M+HCOO]- 213.076841 153.0
[M+CH3COO]- 227.092491 174.1
[M+Na-2H]- 189.053306 138.7
[M]+ 168.07809142 129.2
[M]- 168.07918858 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