CID 97036321

625100-09-6

Structural Information

Molecular Formula
C10H14O4
SMILES
COC(=O)C1C[C@@H]2COC[C@H](C1)C2=O
InChI
InChI=1S/C10H14O4/c1-13-10(12)6-2-7-4-14-5-8(3-6)9(7)11/h6-8H,2-5H2,1H3/t6?,7-,8+
InChIKey
DSUVBQLGYGGODF-IEESLHIDSA-N
Compound name
methyl (1R,5S)-9-oxo-3-oxabicyclo[3.3.1]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.0892 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09648 140.8
[M+Na]+ 221.07842 150.9
[M+NH4]+ 216.12302 149.0
[M+K]+ 237.05236 146.3
[M-H]- 197.08192 142.3
[M+Na-2H]- 219.06387 142.0
[M]+ 198.08865 142.4
[M]- 198.08975 142.4
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.