CID 73657189

Foeniculoside ix

Structural Information

Molecular Formula
C16H28O8
SMILES
CC1(C2CC(C(O1)(CC2O)C)OC3C(C(C(C(O3)CO)O)O)O)C
InChI
InChI=1S/C16H28O8/c1-15(2)7-4-10(16(3,24-15)5-8(7)18)23-14-13(21)12(20)11(19)9(6-17)22-14/h7-14,17-21H,4-6H2,1-3H3
InChIKey
ZAYDZFSAMSYTBB-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[(8-hydroxy-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

348.1784 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.18568 174.8
[M+Na]+ 371.16762 180.9
[M+NH4]+ 366.21222 183.4
[M+K]+ 387.14156 175.6
[M-H]- 347.17112 172.7
[M+Na-2H]- 369.15307 169.0
[M]+ 348.17785 175.0
[M]- 348.17895 175.0
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

patents stripe