CID 170915407

Methyl 3-oxo-7-oxaspiro[3.5]nonane-1-carboxylate

Structural Information

Molecular Formula
C10H14O4
SMILES
COC(=O)C1CC(=O)C12CCOCC2
InChI
InChI=1S/C10H14O4/c1-13-9(12)7-6-8(11)10(7)2-4-14-5-3-10/h7H,2-6H2,1H3
InChIKey
HMPFHMJZQUZNRK-UHFFFAOYSA-N
Compound name
methyl 3-oxo-7-oxaspiro[3.5]nonane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.0892 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.096476 135.3
[M+Na]+ 221.078418 140.1
[M-H]- 197.081924 141.2
[M+NH4]+ 216.123023 148.9
[M+K]+ 237.052358 144.1
[M+H-H2O]+ 181.086460 125.7
[M+HCOO]- 243.087401 152.9
[M+CH3COO]- 257.103051 184.7
[M+Na-2H]- 219.063866 141.0
[M]+ 198.08865142 142.8
[M]- 198.08974858 142.8
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.