CID 63337330
Tert-butyl 4-(1-cyanoethyl)piperazine-1-carboxylate
Structural Information
- Molecular Formula
- C12H21N3O2
- SMILES
- CC(C#N)N1CCN(CC1)C(=O)OC(C)(C)C
- InChI
- InChI=1S/C12H21N3O2/c1-10(9-13)14-5-7-15(8-6-14)11(16)17-12(2,3)4/h10H,5-8H2,1-4H3
- InChIKey
- PHJBOFMUXZDASD-UHFFFAOYSA-N
- Compound name
- tert-butyl 4-(1-cyanoethyl)piperazine-1-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 240.17066 | 154.9 |
[M+Na]+ | 262.15260 | 160.9 |
[M-H]- | 238.15610 | 154.5 |
[M+NH4]+ | 257.19720 | 168.1 |
[M+K]+ | 278.12654 | 160.1 |
[M+H-H2O]+ | 222.16064 | 141.1 |
[M+HCOO]- | 284.16158 | 165.9 |
[M+CH3COO]- | 298.17723 | 203.5 |
[M+Na-2H]- | 260.13805 | 156.4 |
[M]+ | 239.16283 | 148.1 |
[M]- | 239.16393 | 148.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.