CID 54686208
Nsc651208
Structural Information
- Molecular Formula
- C15H14O7
- SMILES
- CCOC(=O)C1=C(C2=C(C=CC(=C2C(=O)C1=O)OC)OC)O
- InChI
- InChI=1S/C15H14O7/c1-4-22-15(19)11-12(16)9-7(20-2)5-6-8(21-3)10(9)13(17)14(11)18/h5-6,16H,4H2,1-3H3
- InChIKey
- GGZBSKZHBJBKRS-UHFFFAOYSA-N
- Compound name
- ethyl 1-hydroxy-5,8-dimethoxy-3,4-dioxonaphthalene-2-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 307.08122 | 161.2 |
[M+Na]+ | 329.06316 | 171.1 |
[M-H]- | 305.06666 | 165.4 |
[M+NH4]+ | 324.10776 | 177.1 |
[M+K]+ | 345.03710 | 169.9 |
[M+H-H2O]+ | 289.07120 | 155.0 |
[M+HCOO]- | 351.07214 | 181.4 |
[M+CH3COO]- | 365.08779 | 204.9 |
[M+Na-2H]- | 327.04861 | 163.5 |
[M]+ | 306.07339 | 168.5 |
[M]- | 306.07449 | 168.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.