CID 90658085
Cyclic- 3,4-o-oxalyl-l-threonate
Structural Information
- Molecular Formula
- C6H6O7
- SMILES
- C1C(OC(=O)C(=O)O1)C(C(=O)O)O
- InChI
- InChI=1S/C6H6O7/c7-3(4(8)9)2-1-12-5(10)6(11)13-2/h2-3,7H,1H2,(H,8,9)
- InChIKey
- FTDFTFXOJYXVTH-UHFFFAOYSA-N
- Compound name
- 2-(5,6-dioxo-1,4-dioxan-2-yl)-2-hydroxyacetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 191.01863 | 132.2 |
[M+Na]+ | 213.00057 | 138.8 |
[M-H]- | 189.00407 | 134.5 |
[M+NH4]+ | 208.04517 | 147.3 |
[M+K]+ | 228.97451 | 141.1 |
[M+H-H2O]+ | 173.00861 | 127.1 |
[M+HCOO]- | 235.00955 | 148.6 |
[M+CH3COO]- | 249.02520 | 175.5 |
[M+Na-2H]- | 210.98602 | 136.7 |
[M]+ | 190.01080 | 132.0 |
[M]- | 190.01190 | 132.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.