CID 73657192

Foeniculoside viii

Structural Information

Molecular Formula
C16H28O8
SMILES
CC1(C2CC(C(O1)(C(C2)OC3C(C(C(C(O3)CO)O)O)O)C)O)C
InChI
InChI=1S/C16H28O8/c1-15(2)7-4-9(18)16(3,24-15)10(5-7)23-14-13(21)12(20)11(19)8(6-17)22-14/h7-14,17-21H,4-6H2,1-3H3
InChIKey
YOOVLDBPAMVHGW-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[(7-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

0
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 180.6
[M+Na]+ 371.16762 184.7
[M-H]- 347.17112 175.2
[M+NH4]+ 366.21222 196.7
[M+K]+ 387.14156 185.1
[M+H-H2O]+ 331.17566 176.5
[M+HCOO]- 393.17660 178.5
[M+CH3COO]- 407.19225 210.0
[M+Na-2H]- 369.15307 187.4
[M]+ 348.17785 183.4
[M]- 348.17895 183.4
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.