CID 2941796
39629-90-8
Structural Information
- Molecular Formula
- C12H13NO4
- SMILES
- COC1=CC=CC=C1N2CC(CC2=O)C(=O)O
- InChI
- InChI=1S/C12H13NO4/c1-17-10-5-3-2-4-9(10)13-7-8(12(15)16)6-11(13)14/h2-5,8H,6-7H2,1H3,(H,15,16)
- InChIKey
- BQQBMILQUDEPIK-UHFFFAOYSA-N
- Compound name
- 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 236.09174 | 149.6 |
[M+Na]+ | 258.07368 | 157.2 |
[M-H]- | 234.07718 | 154.0 |
[M+NH4]+ | 253.11828 | 167.0 |
[M+K]+ | 274.04762 | 154.9 |
[M+H-H2O]+ | 218.08172 | 142.8 |
[M+HCOO]- | 280.08266 | 169.9 |
[M+CH3COO]- | 294.09831 | 187.6 |
[M+Na-2H]- | 256.05913 | 150.7 |
[M]+ | 235.08391 | 149.4 |
[M]- | 235.08501 | 149.4 |