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

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1835 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.190776 180.2
[M+Na]+ 355.172718 182.7
[M-H]- 331.176224 176.5
[M+NH4]+ 350.217323 189.5
[M+K]+ 371.146658 180.4
[M+H-H2O]+ 315.180760 174.3
[M+HCOO]- 377.181701 189.3
[M+CH3COO]- 391.197351 200.8
[M+Na-2H]- 353.158166 175.7
[M]+ 332.18295142 178.7
[M]- 332.18404858 178.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.