CID 124513
3-nitrophenyl 3-piperidinecarboxylate
Structural Information
- Molecular Formula
- C12H14N2O4
- SMILES
- C1CC(CNC1)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-]
- InChI
- InChI=1S/C12H14N2O4/c15-12(9-3-2-6-13-8-9)18-11-5-1-4-10(7-11)14(16)17/h1,4-5,7,9,13H,2-3,6,8H2
- InChIKey
- MUVROTJILUATRW-UHFFFAOYSA-N
- Compound name
- (3-nitrophenyl) piperidine-3-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 251.10263 | 153.7 |
[M+Na]+ | 273.08457 | 156.9 |
[M-H]- | 249.08807 | 156.8 |
[M+NH4]+ | 268.12917 | 167.1 |
[M+K]+ | 289.05851 | 150.4 |
[M+H-H2O]+ | 233.09261 | 150.2 |
[M+HCOO]- | 295.09355 | 172.4 |
[M+CH3COO]- | 309.10920 | 182.8 |
[M+Na-2H]- | 271.07002 | 159.0 |
[M]+ | 250.09480 | 147.1 |
[M]- | 250.09590 | 147.1 |