CID 146082496
Rac-tert-butyl (4ar,7as)-6-oxo-octahydrocyclopenta[b][1,4]oxazine-4-carboxylate
Structural Information
- Molecular Formula
- C12H19NO4
- SMILES
- CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1CC(=O)C2
- InChI
- InChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-4-5-16-10-7-8(14)6-9(10)13/h9-10H,4-7H2,1-3H3/t9-,10+/m0/s1
- InChIKey
- PBPWEAGKPSLKJA-VHSXEESVSA-N
- Compound name
- tert-butyl (4aS,7aR)-6-oxo-2,3,4a,5,7,7a-hexahydrocyclopenta[b][1,4]oxazine-4-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 242.13869 | 154.7 |
[M+Na]+ | 264.12063 | 160.6 |
[M-H]- | 240.12413 | 157.7 |
[M+NH4]+ | 259.16523 | 172.6 |
[M+K]+ | 280.09457 | 160.9 |
[M+H-H2O]+ | 224.12867 | 149.4 |
[M+HCOO]- | 286.12961 | 169.5 |
[M+CH3COO]- | 300.14526 | 190.0 |
[M+Na-2H]- | 262.10608 | 157.6 |
[M]+ | 241.13086 | 154.4 |
[M]- | 241.13196 | 154.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.