CID 86699316
1204820-72-3
Structural Information
- Molecular Formula
- C13H21NO4
- SMILES
- CCOC(=O)[C@]12C[C@H]1CN(C2)C(=O)OC(C)(C)C
- InChI
- InChI=1S/C13H21NO4/c1-5-17-10(15)13-6-9(13)7-14(8-13)11(16)18-12(2,3)4/h9H,5-8H2,1-4H3/t9-,13-/m0/s1
- InChIKey
- AAUQYAVYRMDOAX-ZANVPECISA-N
- Compound name
- 3-O-tert-butyl 1-O-ethyl (1R,5R)-3-azabicyclo[3.1.0]hexane-1,3-dicarboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 256.15434 | 164.4 |
[M+Na]+ | 278.13628 | 173.1 |
[M-H]- | 254.13978 | 168.1 |
[M+NH4]+ | 273.18088 | 180.2 |
[M+K]+ | 294.11022 | 171.3 |
[M+H-H2O]+ | 238.14432 | 160.1 |
[M+HCOO]- | 300.14526 | 181.1 |
[M+CH3COO]- | 314.16091 | 195.9 |
[M+Na-2H]- | 276.12173 | 167.2 |
[M]+ | 255.14651 | 171.0 |
[M]- | 255.14761 | 171.0 |
Literature stripe
No literature data available for this compound.