CID 78384828

3-hydroxychavicol 1-glucoside

Structural Information

Molecular Formula
C15H20O7
SMILES
C=CCC1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)O
InChI
InChI=1S/C15H20O7/c1-2-3-8-4-5-10(9(17)6-8)21-15-14(20)13(19)12(18)11(7-16)22-15/h2,4-6,11-20H,1,3,7H2
InChIKey
SUXVWSIPTXXPOZ-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-(2-hydroxy-4-prop-2-enylphenoxy)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

312.1209 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12818 170.2
[M+Na]+ 335.11012 176.1
[M-H]- 311.11362 171.2
[M+NH4]+ 330.15472 180.5
[M+K]+ 351.08406 173.4
[M+H-H2O]+ 295.11816 163.6
[M+HCOO]- 357.11910 182.8
[M+CH3COO]- 371.13475 196.8
[M+Na-2H]- 333.09557 169.6
[M]+ 312.12035 168.9
[M]- 312.12145 168.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe