CID 5200225
3-aminopiperidin-2-one
Structural Information
- Molecular Formula
- C5H10N2O
- SMILES
- C1CC(C(=O)NC1)N
- InChI
- InChI=1S/C5H10N2O/c6-4-2-1-3-7-5(4)8/h4H,1-3,6H2,(H,7,8)
- InChIKey
- YCCMTCQQDULIFE-UHFFFAOYSA-N
- Compound name
- 3-aminopiperidin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 115.08659 | 122.8 |
[M+Na]+ | 137.06853 | 128.8 |
[M-H]- | 113.07204 | 122.8 |
[M+NH4]+ | 132.11314 | 142.8 |
[M+K]+ | 153.04247 | 127.0 |
[M+H-H2O]+ | 97.076575 | 117.0 |
[M+HCOO]- | 159.07752 | 142.3 |
[M+CH3COO]- | 173.09317 | 166.7 |
[M+Na-2H]- | 135.05398 | 128.1 |
[M]+ | 114.07877 | 114.9 |
[M]- | 114.07986 | 114.9 |