CID 119054625
Tert-butyl 6-phenyl-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
Structural Information
- Molecular Formula
- C16H21NO3
- SMILES
- CC(C)(C)OC(=O)N1CCC2(C(C1)O2)C3=CC=CC=C3
- InChI
- InChI=1S/C16H21NO3/c1-15(2,3)20-14(18)17-10-9-16(13(11-17)19-16)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3
- InChIKey
- KCNPMWOOFGBZDW-UHFFFAOYSA-N
- Compound name
- tert-butyl 6-phenyl-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 276.15941 | 168.5 |
[M+Na]+ | 298.14135 | 176.5 |
[M-H]- | 274.14485 | 175.5 |
[M+NH4]+ | 293.18595 | 180.3 |
[M+K]+ | 314.11529 | 175.6 |
[M+H-H2O]+ | 258.14939 | 161.4 |
[M+HCOO]- | 320.15033 | 183.8 |
[M+CH3COO]- | 334.16598 | 199.5 |
[M+Na-2H]- | 296.12680 | 175.0 |
[M]+ | 275.15158 | 172.1 |
[M]- | 275.15268 | 172.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.