CID 479393
Methyl (3s,4r)-5,5,5-trifluoro-3-hydroxy-4-(phenoxycarbonylamino)pentanoate
Structural Information
- Molecular Formula
- C13H14F3NO5
- SMILES
- COC(=O)C[C@@H]([C@H](C(F)(F)F)NC(=O)OC1=CC=CC=C1)O
- InChI
- InChI=1S/C13H14F3NO5/c1-21-10(19)7-9(18)11(13(14,15)16)17-12(20)22-8-5-3-2-4-6-8/h2-6,9,11,18H,7H2,1H3,(H,17,20)/t9-,11+/m0/s1
- InChIKey
- HEFJSEPTBCLPJT-GXSJLCMTSA-N
- Compound name
- methyl (3S,4R)-5,5,5-trifluoro-3-hydroxy-4-(phenoxycarbonylamino)pentanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 322.08968 | 167.5 |
[M+Na]+ | 344.07162 | 171.8 |
[M-H]- | 320.07512 | 165.2 |
[M+NH4]+ | 339.11622 | 180.0 |
[M+K]+ | 360.04556 | 171.0 |
[M+H-H2O]+ | 304.07966 | 158.2 |
[M+HCOO]- | 366.08060 | 183.0 |
[M+CH3COO]- | 380.09625 | 203.7 |
[M+Na-2H]- | 342.05707 | 167.8 |
[M]+ | 321.08185 | 165.0 |
[M]- | 321.08295 | 165.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.