CID 270016
1,2,5-thiadiazole-3,4-dicarboxylic acid
Structural Information
- Molecular Formula
- C4H2N2O4S
- SMILES
- C1(=NSN=C1C(=O)O)C(=O)O
- InChI
- InChI=1S/C4H2N2O4S/c7-3(8)1-2(4(9)10)6-11-5-1/h(H,7,8)(H,9,10)
- InChIKey
- CCKODBHYAPROLJ-UHFFFAOYSA-N
- Compound name
- 1,2,5-thiadiazole-3,4-dicarboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 174.98081 | 130.9 |
[M+Na]+ | 196.96275 | 140.3 |
[M-H]- | 172.96625 | 130.3 |
[M+NH4]+ | 192.00735 | 149.2 |
[M+K]+ | 212.93669 | 138.7 |
[M+H-H2O]+ | 156.97079 | 125.2 |
[M+HCOO]- | 218.97173 | 146.2 |
[M+CH3COO]- | 232.98738 | 169.8 |
[M+Na-2H]- | 194.94820 | 132.1 |
[M]+ | 173.97298 | 132.7 |
[M]- | 173.97408 | 132.7 |