CID 4088708

Methyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate

Structural Information

Molecular Formula
C10H14O5
SMILES
COC(=O)C1CC2(CCC1=O)OCCO2
InChI
InChI=1S/C10H14O5/c1-13-9(12)7-6-10(3-2-8(7)11)14-4-5-15-10/h7H,2-6H2,1H3
InChIKey
HDBHPQJOSZBECI-UHFFFAOYSA-N
Compound name
methyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

214.08412 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.09140 143.4
[M+Na]+ 237.07334 149.4
[M-H]- 213.07684 149.9
[M+NH4]+ 232.11794 163.1
[M+K]+ 253.04728 151.3
[M+H-H2O]+ 197.08138 138.9
[M+HCOO]- 259.08232 161.2
[M+CH3COO]- 273.09797 181.9
[M+Na-2H]- 235.05879 148.4
[M]+ 214.08357 142.6
[M]- 214.08467 142.6
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