CID 68338198
2751603-28-6
Structural Information
- Molecular Formula
- C11H14N2O4
- SMILES
- COC(=O)C[C@H](CC1=CC=C(C=C1)[N+](=O)[O-])N
- InChI
- InChI=1S/C11H14N2O4/c1-17-11(14)7-9(12)6-8-2-4-10(5-3-8)13(15)16/h2-5,9H,6-7,12H2,1H3/t9-/m0/s1
- InChIKey
- PWQKLFFSQZWPRA-VIFPVBQESA-N
- Compound name
- methyl (3S)-3-amino-4-(4-nitrophenyl)butanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 239.10263 | 151.7 |
[M+Na]+ | 261.08457 | 156.7 |
[M-H]- | 237.08807 | 154.7 |
[M+NH4]+ | 256.12917 | 167.7 |
[M+K]+ | 277.05851 | 151.6 |
[M+H-H2O]+ | 221.09261 | 149.6 |
[M+HCOO]- | 283.09355 | 175.8 |
[M+CH3COO]- | 297.10920 | 187.8 |
[M+Na-2H]- | 259.07002 | 156.0 |
[M]+ | 238.09480 | 150.5 |
[M]- | 238.09590 | 150.5 |