CID 169492794
Chebi:228151
Structural Information
- Molecular Formula
- C15H21NO8
- SMILES
- C1[C@H]([C@H]([C@@H]([C@](O1)(CN[C@@H](CC2=CC=C(C=C2)O)C(=O)O)O)O)O)O
- InChI
- InChI=1S/C15H21NO8/c17-9-3-1-8(2-4-9)5-10(14(21)22)16-7-15(23)13(20)12(19)11(18)6-24-15/h1-4,10-13,16-20,23H,5-7H2,(H,21,22)/t10-,11+,12+,13-,15+/m0/s1
- InChIKey
- FWMCIFGEKHMBGO-IHWVXMPCSA-N
- Compound name
- (2S)-3-(4-hydroxyphenyl)-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 344.13398 | 176.2 |
[M+Na]+ | 366.11592 | 179.1 |
[M-H]- | 342.11942 | 175.2 |
[M+NH4]+ | 361.16052 | 185.2 |
[M+K]+ | 382.08986 | 178.0 |
[M+H-H2O]+ | 326.12396 | 170.0 |
[M+HCOO]- | 388.12490 | 186.4 |
[M+CH3COO]- | 402.14055 | 202.0 |
[M+Na-2H]- | 364.10137 | 176.2 |
[M]+ | 343.12615 | 172.2 |
[M]- | 343.12725 | 172.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.