CID 76573
Eucalyptin
Structural Information
- Molecular Formula
- C19H18O5
- SMILES
- CC1=C(C2=C(C(=C1OC)C)OC(=CC2=O)C3=CC=C(C=C3)OC)O
- InChI
- InChI=1S/C19H18O5/c1-10-17(21)16-14(20)9-15(12-5-7-13(22-3)8-6-12)24-19(16)11(2)18(10)23-4/h5-9,21H,1-4H3
- InChIKey
- NHMMAMIRMITGRD-UHFFFAOYSA-N
- Compound name
- 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6,8-dimethylchromen-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 327.12270 | 173.9 |
[M+Na]+ | 349.10464 | 185.5 |
[M-H]- | 325.10814 | 182.6 |
[M+NH4]+ | 344.14924 | 188.0 |
[M+K]+ | 365.07858 | 183.1 |
[M+H-H2O]+ | 309.11268 | 165.9 |
[M+HCOO]- | 371.11362 | 194.9 |
[M+CH3COO]- | 385.12927 | 210.8 |
[M+Na-2H]- | 347.09009 | 177.8 |
[M]+ | 326.11487 | 181.5 |
[M]- | 326.11597 | 181.5 |