CID 13846650
Episappanol
Structural Information
- Molecular Formula
- C16H16O6
- SMILES
- C1[C@@]([C@@H](C2=C(O1)C=C(C=C2)O)O)(CC3=CC(=C(C=C3)O)O)O
- InChI
- InChI=1S/C16H16O6/c17-10-2-3-11-14(6-10)22-8-16(21,15(11)20)7-9-1-4-12(18)13(19)5-9/h1-6,15,17-21H,7-8H2/t15-,16-/m1/s1
- InChIKey
- MPGFEHZDABUJFR-HZPDHXFCSA-N
- Compound name
- (3R,4R)-3-[(3,4-dihydroxyphenyl)methyl]-2,4-dihydrochromene-3,4,7-triol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 305.10198 | 167.5 |
[M+Na]+ | 327.08392 | 175.5 |
[M-H]- | 303.08742 | 170.1 |
[M+NH4]+ | 322.12852 | 181.1 |
[M+K]+ | 343.05786 | 172.2 |
[M+H-H2O]+ | 287.09196 | 161.3 |
[M+HCOO]- | 349.09290 | 180.6 |
[M+CH3COO]- | 363.10855 | 193.9 |
[M+Na-2H]- | 325.06937 | 172.4 |
[M]+ | 304.09415 | 166.2 |
[M]- | 304.09525 | 166.2 |