CID 3162835
842976-95-8
Structural Information
- Molecular Formula
- C9H12N2O3S
- SMILES
- C1CCN(C1)C2=NC(=O)C(S2)CC(=O)O
- InChI
- InChI=1S/C9H12N2O3S/c12-7(13)5-6-8(14)10-9(15-6)11-3-1-2-4-11/h6H,1-5H2,(H,12,13)
- InChIKey
- KIWYWSBEVWIDJI-UHFFFAOYSA-N
- Compound name
- 2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 229.06415 | 151.0 |
[M+Na]+ | 251.04609 | 158.6 |
[M-H]- | 227.04959 | 154.3 |
[M+NH4]+ | 246.09069 | 169.9 |
[M+K]+ | 267.02003 | 156.6 |
[M+H-H2O]+ | 211.05413 | 144.9 |
[M+HCOO]- | 273.05507 | 165.3 |
[M+CH3COO]- | 287.07072 | 181.9 |
[M+Na-2H]- | 249.03154 | 147.7 |
[M]+ | 228.05632 | 150.5 |
[M]- | 228.05742 | 150.5 |
Literature stripe
Patent stripe
No patent data available for this compound.