CID 54697199
Xanthofusin
Structural Information
- Molecular Formula
- C8H8O4
- SMILES
- CC1=C(/C(=C\C(=O)C)/OC1=O)O
- InChI
- InChI=1S/C8H8O4/c1-4(9)3-6-7(10)5(2)8(11)12-6/h3,10H,1-2H3/b6-3+
- InChIKey
- UHBRGPQMMUQLOR-ZZXKWVIFSA-N
- Compound name
- (5E)-4-hydroxy-3-methyl-5-(2-oxopropylidene)furan-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 169.04953 | 133.5 |
[M+Na]+ | 191.03147 | 143.5 |
[M+NH4]+ | 186.07607 | 139.7 |
[M+K]+ | 207.00541 | 142.0 |
[M-H]- | 167.03497 | 133.7 |
[M+Na-2H]- | 189.01692 | 135.3 |
[M]+ | 168.04170 | 134.5 |
[M]- | 168.04280 | 134.5 |
Literature stripe
Patent stripe
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