CID 15157507
1-phenylpyrrolidine-2-carboxylic acid
Structural Information
- Molecular Formula
- C11H13NO2
- SMILES
- C1CC(N(C1)C2=CC=CC=C2)C(=O)O
- InChI
- InChI=1S/C11H13NO2/c13-11(14)10-7-4-8-12(10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,13,14)
- InChIKey
- ZZMSDLWVAMNVOD-UHFFFAOYSA-N
- Compound name
- 1-phenylpyrrolidine-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 192.10192 | 141.4 |
[M+Na]+ | 214.08386 | 147.6 |
[M-H]- | 190.08736 | 145.2 |
[M+NH4]+ | 209.12846 | 160.3 |
[M+K]+ | 230.05780 | 145.0 |
[M+H-H2O]+ | 174.09190 | 134.5 |
[M+HCOO]- | 236.09284 | 161.6 |
[M+CH3COO]- | 250.10849 | 178.8 |
[M+Na-2H]- | 212.06931 | 144.2 |
[M]+ | 191.09409 | 137.9 |
[M]- | 191.09519 | 137.9 |