Molecule ID: mol12818
SMILES: CN1[C@H]2CC=C(C(=O)O)[C@@H]1CC2
InChI: InChI=1S/C9H13NO2/c1-10-6-2-4-7(9(11)12)8(10)5-3-6/h4,6,8H,2-3,5H2,1H3,(H,11,12)/t6-,8-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.93 | Datawarrior | 1 » 0 |
| 10.85 | Datawarrior | 0 » -1 |