CID 6999558
34805-17-9
Structural Information
- Molecular Formula
- C17H19NO3
- SMILES
- COC(=O)[C@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)N
- InChI
- InChI=1S/C17H19NO3/c1-20-17(19)16(18)11-13-7-9-15(10-8-13)21-12-14-5-3-2-4-6-14/h2-10,16H,11-12,18H2,1H3/t16-/m0/s1
- InChIKey
- IUXVIPGPIFGSEU-INIZCTEOSA-N
- Compound name
- methyl (2S)-2-amino-3-(4-phenylmethoxyphenyl)propanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 286.14378 | 167.6 |
[M+Na]+ | 308.12572 | 179.7 |
[M+NH4]+ | 303.17032 | 174.9 |
[M+K]+ | 324.09966 | 173.1 |
[M-H]- | 284.12922 | 171.6 |
[M+Na-2H]- | 306.11117 | 175.4 |
[M]+ | 285.13595 | 170.3 |
[M]- | 285.13705 | 170.3 |