CID 131753062

Ilicifolinoside a

Structural Information

Molecular Formula
C11H20O7
SMILES
C/C(=C/CO)/COC1C(C(C(C(O1)CO)O)O)O
InChI
InChI=1S/C11H20O7/c1-6(2-3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h2,7-16H,3-5H2,1H3/b6-2-
InChIKey
CCMAOVDWTXGECN-KXFIGUGUSA-N
Compound name
2-(hydroxymethyl)-6-[(Z)-4-hydroxy-2-methylbut-2-enoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1209 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.12818 159.0
[M+Na]+ 287.11012 163.5
[M-H]- 263.11362 156.1
[M+NH4]+ 282.15472 171.1
[M+K]+ 303.08406 162.2
[M+H-H2O]+ 247.11816 153.7
[M+HCOO]- 309.11910 170.5
[M+CH3COO]- 323.13475 186.2
[M+Na-2H]- 285.09557 158.1
[M]+ 264.12035 157.1
[M]- 264.12145 157.1
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.