CID 46832155
Propylguaiacol-dimer
Structural Information
- Molecular Formula
- C20H24O4
- SMILES
- CCCC1=CC2=C(C(=C1)OC)O[C@@H]([C@H]2C)C3=CC(=C(C=C3)O)OC
- InChI
- InChI=1S/C20H24O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h7-12,19,21H,5-6H2,1-4H3/t12-,19-/m0/s1
- InChIKey
- KXTZWNLTEJAHKW-BUXKBTBVSA-N
- Compound name
- 2-methoxy-4-[(2S,3S)-7-methoxy-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl]phenol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 329.17473 | 178.4 |
[M+Na]+ | 351.15667 | 187.4 |
[M-H]- | 327.16017 | 186.1 |
[M+NH4]+ | 346.20127 | 194.2 |
[M+K]+ | 367.13061 | 184.5 |
[M+H-H2O]+ | 311.16471 | 171.7 |
[M+HCOO]- | 373.16565 | 198.1 |
[M+CH3COO]- | 387.18130 | 210.8 |
[M+Na-2H]- | 349.14212 | 179.0 |
[M]+ | 328.16690 | 184.6 |
[M]- | 328.16800 | 184.6 |
Literature stripe
No literature data available for this compound.