CID 135392615

2167622-99-1

Structural Information

Molecular Formula
C11H16O4
SMILES
CCOC(=O)C1CC2COCC(C1)C2=O
InChI
InChI=1S/C11H16O4/c1-2-15-11(13)7-3-8-5-14-6-9(4-7)10(8)12/h7-9H,2-6H2,1H3
InChIKey
FLTMRFNSJMDOAG-UHFFFAOYSA-N
Compound name
ethyl 9-oxo-3-oxabicyclo[3.3.1]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.10486 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.112136 144.1
[M+Na]+ 235.094078 149.3
[M-H]- 211.097584 146.8
[M+NH4]+ 230.138683 163.0
[M+K]+ 251.068018 149.5
[M+H-H2O]+ 195.102120 138.7
[M+HCOO]- 257.103061 159.7
[M+CH3COO]- 271.118711 187.0
[M+Na-2H]- 233.079526 149.1
[M]+ 212.10431142 143.4
[M]- 212.10540858 143.4
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

No patent data available for this compound.