CID 6452156
Einecs 256-436-9
Structural Information
- Molecular Formula
- C12H16N2O4
- SMILES
- C[C@@H]([C@](CC1=CC=CC=C1)(C(=O)N)OC(=O)N)O
- InChI
- InChI=1S/C12H16N2O4/c1-8(15)12(10(13)16,18-11(14)17)7-9-5-3-2-4-6-9/h2-6,8,15H,7H2,1H3,(H2,13,16)(H2,14,17)/t8-,12+/m0/s1
- InChIKey
- XYJIXTMTYOGXGG-QPUJVOFHSA-N
- Compound name
- [(2R,3S)-1-amino-2-benzyl-3-hydroxy-1-oxobutan-2-yl] carbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 253.11829 | 156.7 |
[M+Na]+ | 275.10023 | 160.5 |
[M-H]- | 251.10373 | 157.5 |
[M+NH4]+ | 270.14483 | 171.3 |
[M+K]+ | 291.07417 | 159.5 |
[M+H-H2O]+ | 235.10827 | 150.1 |
[M+HCOO]- | 297.10921 | 176.2 |
[M+CH3COO]- | 311.12486 | 195.7 |
[M+Na-2H]- | 273.08568 | 158.5 |
[M]+ | 252.11046 | 154.0 |
[M]- | 252.11156 | 154.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.