CID 6351946
Pro-phe
Structural Information
- Molecular Formula
- C14H18N2O3
- SMILES
- C1C[C@H](NC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O
- InChI
- InChI=1S/C14H18N2O3/c17-13(11-7-4-8-15-11)16-12(14(18)19)9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2,(H,16,17)(H,18,19)/t11-,12-/m0/s1
- InChIKey
- IWIANZLCJVYEFX-RYUDHWBXSA-N
- Compound name
- (2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 263.13902 | 161.3 |
[M+Na]+ | 285.12096 | 163.4 |
[M-H]- | 261.12446 | 162.9 |
[M+NH4]+ | 280.16556 | 175.5 |
[M+K]+ | 301.09490 | 160.3 |
[M+H-H2O]+ | 245.12900 | 153.4 |
[M+HCOO]- | 307.12994 | 178.3 |
[M+CH3COO]- | 321.14559 | 191.7 |
[M+Na-2H]- | 283.10641 | 160.9 |
[M]+ | 262.13119 | 155.2 |
[M]- | 262.13229 | 155.2 |