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

82
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 145.5
[M+Na]+ 237.07334 154.2
[M+NH4]+ 232.11794 153.9
[M+K]+ 253.04728 151.0
[M-H]- 213.07684 148.6
[M+Na-2H]- 235.05879 148.6
[M]+ 214.08357 147.4
[M]- 214.08467 147.4
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