CID 131752449
(2e,4e,7r)-2,7-dimethyl-2,4-octadiene-1,8-diol 8-o-b-d-glucopyranoside
Structural Information
- Molecular Formula
- C16H28O7
- SMILES
- CC(C/C=C\C=C(\C)/CO)COC1C(C(C(C(O1)CO)O)O)O
- InChI
- InChI=1S/C16H28O7/c1-10(7-17)5-3-4-6-11(2)9-22-16-15(21)14(20)13(19)12(8-18)23-16/h3-5,11-21H,6-9H2,1-2H3/b4-3-,10-5-
- InChIKey
- BMZXRCYRAQEICG-QQTPKPIZSA-N
- Compound name
- 2-[(4Z,6Z)-8-hydroxy-2,7-dimethylocta-4,6-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 333.19078 | 180.2 |
[M+Na]+ | 355.17272 | 182.7 |
[M-H]- | 331.17622 | 176.5 |
[M+NH4]+ | 350.21732 | 189.5 |
[M+K]+ | 371.14666 | 180.4 |
[M+H-H2O]+ | 315.18076 | 174.3 |
[M+HCOO]- | 377.18170 | 189.3 |
[M+CH3COO]- | 391.19735 | 200.8 |
[M+Na-2H]- | 353.15817 | 175.7 |
[M]+ | 332.18295 | 178.7 |
[M]- | 332.18405 | 178.7 |
Literature stripe
Patent stripe
No patent data available for this compound.