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

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	180.6
[M+Na]+	371.167618	184.7
[M-H]-	347.171124	175.2
[M+NH4]+	366.212223	196.7
[M+K]+	387.141558	185.1
[M+H-H2O]+	331.175660	176.5
[M+HCOO]-	393.176601	178.5
[M+CH3COO]-	407.192251	210.0
[M+Na-2H]-	369.153066	187.4
[M]+	348.17785142	183.4
[M]-	348.17894858	183.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.