CID 2762415
Sodium 2-methyl-4,5-dihydro-1,3-thiazole-4-carboxylate
Structural Information
- Molecular Formula
- C5H7NO2S
- SMILES
- CC1=NC(CS1)C(=O)O
- InChI
- InChI=1S/C5H7NO2S/c1-3-6-4(2-9-3)5(7)8/h4H,2H2,1H3,(H,7,8)
- InChIKey
- AYLFNWRGEZKWFP-UHFFFAOYSA-N
- Compound name
- 2-methyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 146.02702 | 127.4 |
[M+Na]+ | 168.00896 | 136.2 |
[M-H]- | 144.01246 | 129.0 |
[M+NH4]+ | 163.05356 | 149.3 |
[M+K]+ | 183.98290 | 134.8 |
[M+H-H2O]+ | 128.01700 | 122.3 |
[M+HCOO]- | 190.01794 | 144.1 |
[M+CH3COO]- | 204.03359 | 168.7 |
[M+Na-2H]- | 165.99441 | 128.5 |
[M]+ | 145.01919 | 128.0 |
[M]- | 145.02029 | 128.0 |