CID 5393159
88404-14-2
Structural Information
- Molecular Formula
- C11H8O6
- SMILES
- C1=C(C2=CC(=C(C=C2OC1=O)O)O)CC(=O)O
- InChI
- InChI=1S/C11H8O6/c12-7-3-6-5(1-10(14)15)2-11(16)17-9(6)4-8(7)13/h2-4,12-13H,1H2,(H,14,15)
- InChIKey
- VZBNZFYHLQRFPS-UHFFFAOYSA-N
- Compound name
- 2-(6,7-dihydroxy-2-oxochromen-4-yl)acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 237.03937 | 144.0 |
[M+Na]+ | 259.02131 | 154.1 |
[M-H]- | 235.02481 | 146.5 |
[M+NH4]+ | 254.06591 | 159.8 |
[M+K]+ | 274.99525 | 152.4 |
[M+H-H2O]+ | 219.02935 | 138.5 |
[M+HCOO]- | 281.03029 | 162.8 |
[M+CH3COO]- | 295.04594 | 184.7 |
[M+Na-2H]- | 257.00676 | 150.1 |
[M]+ | 236.03154 | 146.8 |
[M]- | 236.03264 | 146.8 |