CID 13858447
Dumetorine
Structural Information
- Molecular Formula
- C13H21NO2
- SMILES
- CC1=CC(=O)OC(C1)CC2CCCCN2C
- InChI
- InChI=1S/C13H21NO2/c1-10-7-12(16-13(15)8-10)9-11-5-3-4-6-14(11)2/h8,11-12H,3-7,9H2,1-2H3
- InChIKey
- JFFVCKNYHMIHTF-UHFFFAOYSA-N
- Compound name
- 4-methyl-2-[(1-methylpiperidin-2-yl)methyl]-2,3-dihydropyran-6-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 224.16451 | 153.0 |
[M+Na]+ | 246.14645 | 158.0 |
[M-H]- | 222.14995 | 158.0 |
[M+NH4]+ | 241.19105 | 168.6 |
[M+K]+ | 262.12039 | 156.8 |
[M+H-H2O]+ | 206.15449 | 145.2 |
[M+HCOO]- | 268.15543 | 168.8 |
[M+CH3COO]- | 282.17108 | 190.1 |
[M+Na-2H]- | 244.13190 | 155.2 |
[M]+ | 223.15668 | 149.0 |
[M]- | 223.15778 | 149.0 |