CID 3083622
Aposcopolamine
Structural Information
- Molecular Formula
- C17H19NO3
- SMILES
- CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(=C)C4=CC=CC=C4
- InChI
- InChI=1S/C17H19NO3/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2/h3-7,12-16H,1,8-9H2,2H3/t12?,13-,14+,15-,16+
- InChIKey
- JJNVDCBKBUSUII-LHIUVBILSA-N
- Compound name
- [(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-phenylprop-2-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 286.14378 | 166.3 |
[M+Na]+ | 308.12572 | 179.1 |
[M+NH4]+ | 303.17032 | 175.3 |
[M+K]+ | 324.09966 | 176.2 |
[M-H]- | 284.12922 | 176.3 |
[M+Na-2H]- | 306.11117 | 170.4 |
[M]+ | 285.13595 | 172.0 |
[M]- | 285.13705 | 172.0 |