CID 12255259

2-oxaspiro[4.6]undecane-1,3-dione

Structural Information

Molecular Formula
C10H14O3
SMILES
C1CCCC2(CC1)CC(=O)OC2=O
InChI
InChI=1S/C10H14O3/c11-8-7-10(9(12)13-8)5-3-1-2-4-6-10/h1-7H2
InChIKey
HGWGHPIQAKFEQG-UHFFFAOYSA-N
Compound name
2-oxaspiro[4.6]undecane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0943 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 134.8
[M+Na]+ 205.08352 139.0
[M-H]- 181.08702 141.4
[M+NH4]+ 200.12812 155.5
[M+K]+ 221.05746 141.3
[M+H-H2O]+ 165.09156 130.3
[M+HCOO]- 227.09250 153.2
[M+CH3COO]- 241.10815 179.2
[M+Na-2H]- 203.06897 139.2
[M]+ 182.09375 127.8
[M]- 182.09485 127.8
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.