CID 17896361
1-(2-methylbenzoyl)piperidin-4-one
Structural Information
- Molecular Formula
- C13H15NO2
- SMILES
- CC1=CC=CC=C1C(=O)N2CCC(=O)CC2
- InChI
- InChI=1S/C13H15NO2/c1-10-4-2-3-5-12(10)13(16)14-8-6-11(15)7-9-14/h2-5H,6-9H2,1H3
- InChIKey
- OXHVRXMYJFCTGL-UHFFFAOYSA-N
- Compound name
- 1-(2-methylbenzoyl)piperidin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 218.11756 | 148.1 |
[M+Na]+ | 240.09950 | 154.3 |
[M-H]- | 216.10300 | 153.0 |
[M+NH4]+ | 235.14410 | 165.0 |
[M+K]+ | 256.07344 | 151.5 |
[M+H-H2O]+ | 200.10754 | 140.4 |
[M+HCOO]- | 262.10848 | 167.1 |
[M+CH3COO]- | 276.12413 | 187.5 |
[M+Na-2H]- | 238.08495 | 151.2 |
[M]+ | 217.10973 | 144.6 |
[M]- | 217.11083 | 144.6 |
Literature stripe
No literature data available for this compound.