CID 73657191

Foeniculoside vii

Structural Information

Molecular Formula

C₁₆H₂₈O₈

SMILES

CC1(C2(CCC(O1)(C(C2)O)C)OC3C(C(C(C(O3)CO)O)O)O)C

InChI

InChI=1S/C16H28O8/c1-14(2)16(5-4-15(3,24-14)9(18)6-16)23-13-12(21)11(20)10(19)8(7-17)22-13/h8-13,17-21H,4-7H2,1-3H3

InChIKey

IQQCVQGVRVNZLT-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)-6-[(6-hydroxy-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-4-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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	349.185676	179.9
[M+Na]+	371.167618	184.5
[M-H]-	347.171124	174.5
[M+NH4]+	366.212223	197.8
[M+K]+	387.141558	184.8
[M+H-H2O]+	331.175660	175.8
[M+HCOO]-	393.176601	177.8
[M+CH3COO]-	407.192251	208.4
[M+Na-2H]-	369.153066	188.6
[M]+	348.17785142	183.0
[M]-	348.17894858	183.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.