CID 10845708

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

Structural Information

Molecular Formula
C10H16O4
SMILES
COC(=O)C1CCC2(CC1)OCCO2
InChI
InChI=1S/C10H16O4/c1-12-9(11)8-2-4-10(5-3-8)13-6-7-14-10/h8H,2-7H2,1H3
InChIKey
XUTIURCKMWHHLX-UHFFFAOYSA-N
Compound name
methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

200.10486 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11214 143.0
[M+Na]+ 223.09408 147.8
[M-H]- 199.09758 149.0
[M+NH4]+ 218.13868 163.1
[M+K]+ 239.06802 149.8
[M+H-H2O]+ 183.10212 138.2
[M+HCOO]- 245.10306 160.3
[M+CH3COO]- 259.11871 179.4
[M+Na-2H]- 221.07953 148.2
[M]+ 200.10431 140.9
[M]- 200.10541 140.9
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.