CID 253775
Hamamelitannin
Structural Information
- Molecular Formula
- C20H20O14
- SMILES
- C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(O2)O)(COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O
- InChI
- InChI=1S/C20H20O14/c21-9-1-7(2-10(22)14(9)25)17(28)32-5-13-16(27)20(31,19(30)34-13)6-33-18(29)8-3-11(23)15(26)12(24)4-8/h1-4,13,16,19,21-27,30-31H,5-6H2
- InChIKey
- FEPAFOYQTIEEIS-UHFFFAOYSA-N
- Compound name
- [3,4,5-trihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 485.09258 | 203.7 |
[M+Na]+ | 507.07452 | 208.4 |
[M-H]- | 483.07802 | 202.1 |
[M+NH4]+ | 502.11912 | 205.6 |
[M+K]+ | 523.04846 | 205.0 |
[M+H-H2O]+ | 467.08256 | 193.5 |
[M+HCOO]- | 529.08350 | 208.1 |
[M+CH3COO]- | 543.09915 | 223.7 |
[M+Na-2H]- | 505.05997 | 221.9 |
[M]+ | 484.08475 | 211.3 |
[M]- | 484.08585 | 211.3 |