CID 117218321
1891274-16-0
Structural Information
- Molecular Formula
- C6H5NO4S
- SMILES
- COC(=O)C1=CC(=NS1)C(=O)O
- InChI
- InChI=1S/C6H5NO4S/c1-11-6(10)4-2-3(5(8)9)7-12-4/h2H,1H3,(H,8,9)
- InChIKey
- UHLLTSXSWXNRNY-UHFFFAOYSA-N
- Compound name
- 5-methoxycarbonyl-1,2-thiazole-3-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 188.00121 | 135.8 |
[M+Na]+ | 209.98315 | 144.9 |
[M-H]- | 185.98665 | 137.7 |
[M+NH4]+ | 205.02775 | 155.8 |
[M+K]+ | 225.95709 | 143.8 |
[M+H-H2O]+ | 169.99119 | 130.4 |
[M+HCOO]- | 231.99213 | 153.3 |
[M+CH3COO]- | 246.00778 | 174.8 |
[M+Na-2H]- | 207.96860 | 136.6 |
[M]+ | 186.99338 | 139.7 |
[M]- | 186.99448 | 139.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.