CID 44257174
4'-hydroxy-7-methoxy-8-methylflavan
Structural Information
- Molecular Formula
- C17H18O3
- SMILES
- CC1=C(C=CC2=C1O[C@@H](CC2)C3=CC=C(C=C3)O)OC
- InChI
- InChI=1S/C17H18O3/c1-11-15(19-2)9-5-13-6-10-16(20-17(11)13)12-3-7-14(18)8-4-12/h3-5,7-9,16,18H,6,10H2,1-2H3/t16-/m0/s1
- InChIKey
- JMZFKVHPHJWAFE-INIZCTEOSA-N
- Compound name
- 4-[(2S)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-2-yl]phenol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 271.13286 | 161.2 |
[M+Na]+ | 293.11480 | 169.2 |
[M-H]- | 269.11830 | 168.4 |
[M+NH4]+ | 288.15940 | 177.0 |
[M+K]+ | 309.08874 | 166.3 |
[M+H-H2O]+ | 253.12284 | 153.7 |
[M+HCOO]- | 315.12378 | 179.7 |
[M+CH3COO]- | 329.13943 | 173.3 |
[M+Na-2H]- | 291.10025 | 166.4 |
[M]+ | 270.12503 | 161.9 |
[M]- | 270.12613 | 161.9 |
Literature stripe
Patent stripe
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