CID 155822689
Rac-methyl (1r,3r,5s)-6-oxobicyclo[3.2.1]octane-3-carboxylate
Structural Information
- Molecular Formula
- C10H14O3
- SMILES
- COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)C(=O)C2
- InChI
- InChI=1S/C10H14O3/c1-13-10(12)8-3-6-2-7(5-8)9(11)4-6/h6-8H,2-5H2,1H3/t6-,7+,8-/m1/s1
- InChIKey
- DLJZRXOLHREWAD-GJMOJQLCSA-N
- Compound name
- methyl (1R,3R,5S)-6-oxobicyclo[3.2.1]octane-3-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 183.10158 | 138.9 |
[M+Na]+ | 205.08352 | 147.9 |
[M+NH4]+ | 200.12812 | 147.5 |
[M+K]+ | 221.05746 | 144.6 |
[M-H]- | 181.08702 | 138.8 |
[M+Na-2H]- | 203.06897 | 139.9 |
[M]+ | 182.09375 | 139.8 |
[M]- | 182.09485 | 139.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.