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

80
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 144.2
[M+Na]+ 223.09408 153.0
[M+NH4]+ 218.13868 153.5
[M+K]+ 239.06802 149.1
[M-H]- 199.09758 148.0
[M+Na-2H]- 221.07953 148.0
[M]+ 200.10431 146.4
[M]- 200.10541 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe