CID 11076282
64187-47-9
Structural Information
- Molecular Formula
- C13H13NO5
- SMILES
- C1[C@H](N(CC1=O)C(=O)OCC2=CC=CC=C2)C(=O)O
- InChI
- InChI=1S/C13H13NO5/c15-10-6-11(12(16)17)14(7-10)13(18)19-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,16,17)/t11-/m0/s1
- InChIKey
- RPLLCMZOIFOBIF-NSHDSACASA-N
- Compound name
- (2S)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 264.08666 | 156.5 |
[M+Na]+ | 286.06860 | 162.7 |
[M-H]- | 262.07210 | 160.5 |
[M+NH4]+ | 281.11320 | 172.4 |
[M+K]+ | 302.04254 | 160.8 |
[M+H-H2O]+ | 246.07664 | 149.4 |
[M+HCOO]- | 308.07758 | 176.0 |
[M+CH3COO]- | 322.09323 | 190.4 |
[M+Na-2H]- | 284.05405 | 156.7 |
[M]+ | 263.07883 | 156.3 |
[M]- | 263.07993 | 156.3 |