CID 71306003
1251013-07-6
Structural Information
- Molecular Formula
- C13H24N2O2
- SMILES
- CC(C)(C)OC(=O)N1C[C@H]2CCNCC[C@H]2C1
- InChI
- InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-8-10-4-6-14-7-5-11(10)9-15/h10-11,14H,4-9H2,1-3H3/t10-,11+
- InChIKey
- SXVYKJHEKCFXFM-PHIMTYICSA-N
- Compound name
- tert-butyl (3aS,8aR)-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine-2-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 241.19106 | 156.3 |
[M+Na]+ | 263.17300 | 161.7 |
[M+NH4]+ | 258.21760 | 162.1 |
[M+K]+ | 279.14694 | 161.0 |
[M-H]- | 239.17650 | 154.6 |
[M+Na-2H]- | 261.15845 | 157.1 |
[M]+ | 240.18323 | 156.2 |
[M]- | 240.18433 | 156.2 |
Literature stripe
No literature data available for this compound.