CID 12273593

49826-55-3

Structural Information

Molecular Formula
C10H14O3
SMILES
COC(=O)[C@@H]1C[C@H]2CC[C@@H]1CC2=O
InChI
InChI=1S/C10H14O3/c1-13-10(12)8-4-7-3-2-6(8)5-9(7)11/h6-8H,2-5H2,1H3/t6-,7-,8-/m1/s1
InChIKey
DOPKSKFPVYAYCF-BWZBUEFSSA-N
Compound name
methyl (1R,2R,4R)-5-oxobicyclo[2.2.2]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0943 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 134.2
[M+Na]+ 205.08352 143.7
[M+NH4]+ 200.12812 144.3
[M+K]+ 221.05746 137.9
[M-H]- 181.08702 131.7
[M+Na-2H]- 203.06897 131.7
[M]+ 182.09375 134.6
[M]- 182.09485 134.6
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.