CID 161968
3-ethyl-3-(4-nitrophenyl)piperidine-2,6-dione
Structural Information
- Molecular Formula
- C13H14N2O4
- SMILES
- CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)[N+](=O)[O-]
- InChI
- InChI=1S/C13H14N2O4/c1-2-13(8-7-11(16)14-12(13)17)9-3-5-10(6-4-9)15(18)19/h3-6H,2,7-8H2,1H3,(H,14,16,17)
- InChIKey
- ZHPKYOHYUWTINN-UHFFFAOYSA-N
- Compound name
- 3-ethyl-3-(4-nitrophenyl)piperidine-2,6-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 263.10265 | 156.7 |
[M+Na]+ | 285.08459 | 162.7 |
[M-H]- | 261.08809 | 160.6 |
[M+NH4]+ | 280.12919 | 172.2 |
[M+K]+ | 301.05853 | 155.3 |
[M+H-H2O]+ | 245.09263 | 154.2 |
[M+HCOO]- | 307.09357 | 176.1 |
[M+CH3COO]- | 321.10922 | 186.6 |
[M+Na-2H]- | 283.07004 | 162.6 |
[M]+ | 262.09482 | 151.6 |
[M]- | 262.09592 | 151.6 |