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
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 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.