CID 24839978
2-tropidinemethyl alpha-cyclopropyl-alpha-phenylglycolate
Structural Information
- Molecular Formula
- C20H25NO3
- SMILES
- CN1[C@@H]2CC[C@H]1C(=CC2)COC(=O)C(C3CC3)(C4=CC=CC=C4)O
- InChI
- InChI=1S/C20H25NO3/c1-21-17-10-7-14(18(21)12-11-17)13-24-19(22)20(23,16-8-9-16)15-5-3-2-4-6-15/h2-7,16-18,23H,8-13H2,1H3/t17-,18-,20?/m0/s1
- InChIKey
- LDZRQRDROULMMV-IJXZTRCJSA-N
- Compound name
- [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 328.19072 | 177.7 |
[M+Na]+ | 350.17266 | 183.7 |
[M-H]- | 326.17616 | 183.7 |
[M+NH4]+ | 345.21726 | 187.9 |
[M+K]+ | 366.14660 | 178.6 |
[M+H-H2O]+ | 310.18070 | 170.7 |
[M+HCOO]- | 372.18164 | 191.8 |
[M+CH3COO]- | 386.19729 | 208.7 |
[M+Na-2H]- | 348.15811 | 179.5 |
[M]+ | 327.18289 | 179.0 |
[M]- | 327.18399 | 179.0 |
Literature stripe
No literature data available for this compound.