CID 24275213
1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxylic acid
Structural Information
- Molecular Formula
- C13H15NO3
- SMILES
- CC1=CC(=CC(=C1)N2CCC(C2=O)C(=O)O)C
- InChI
- InChI=1S/C13H15NO3/c1-8-5-9(2)7-10(6-8)14-4-3-11(12(14)15)13(16)17/h5-7,11H,3-4H2,1-2H3,(H,16,17)
- InChIKey
- BSPQNSXDZAYSLO-UHFFFAOYSA-N
- Compound name
- 1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 234.11248 | 150.8 |
[M+Na]+ | 256.09442 | 159.1 |
[M-H]- | 232.09792 | 155.5 |
[M+NH4]+ | 251.13902 | 168.8 |
[M+K]+ | 272.06836 | 156.0 |
[M+H-H2O]+ | 216.10246 | 144.4 |
[M+HCOO]- | 278.10340 | 170.6 |
[M+CH3COO]- | 292.11905 | 189.7 |
[M+Na-2H]- | 254.07987 | 150.6 |
[M]+ | 233.10465 | 150.0 |
[M]- | 233.10575 | 150.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.