CID 131751351
5-(6-hydroxy-3,7-dimethyl-2,7-octadienyloxy)-7-methoxycoumarin
Structural Information
- Molecular Formula
- C20H24O5
- SMILES
- CC(=C)C(CC/C(=C/COC1=CC(=CC2=C1C=CC(=O)O2)OC)/C)O
- InChI
- InChI=1S/C20H24O5/c1-13(2)17(21)7-5-14(3)9-10-24-18-11-15(23-4)12-19-16(18)6-8-20(22)25-19/h6,8-9,11-12,17,21H,1,5,7,10H2,2-4H3/b14-9+
- InChIKey
- KQPVSSJMHATTGK-NTEUORMPSA-N
- Compound name
- 5-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dienoxy]-7-methoxychromen-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 345.16966 | 181.8 |
[M+Na]+ | 367.15160 | 187.9 |
[M-H]- | 343.15510 | 185.2 |
[M+NH4]+ | 362.19620 | 194.2 |
[M+K]+ | 383.12554 | 185.6 |
[M+H-H2O]+ | 327.15964 | 174.5 |
[M+HCOO]- | 389.16058 | 198.6 |
[M+CH3COO]- | 403.17623 | 213.0 |
[M+Na-2H]- | 365.13705 | 182.2 |
[M]+ | 344.16183 | 187.4 |
[M]- | 344.16293 | 187.5 |
Literature stripe
No literature data available for this compound.