CID 243544
5,8-dioxo-1,4,4a,5,8,8a-hexahydronaphthalene-1-carboxylic acid
Structural Information
- Molecular Formula
- C11H10O4
- SMILES
- C1C=CC(C2C1C(=O)C=CC2=O)C(=O)O
- InChI
- InChI=1S/C11H10O4/c12-8-4-5-9(13)10-6(8)2-1-3-7(10)11(14)15/h1,3-7,10H,2H2,(H,14,15)
- InChIKey
- HMHYLJXNGHJBJD-UHFFFAOYSA-N
- Compound name
- 5,8-dioxo-1,4,4a,8a-tetrahydronaphthalene-1-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 207.06518 | 141.4 |
[M+Na]+ | 229.04712 | 152.7 |
[M+NH4]+ | 224.09172 | 148.9 |
[M+K]+ | 245.02106 | 147.8 |
[M-H]- | 205.05062 | 142.1 |
[M+Na-2H]- | 227.03257 | 144.8 |
[M]+ | 206.05735 | 142.9 |
[M]- | 206.05845 | 142.9 |
Literature stripe
No literature data available for this compound.