CID 85197858

7-hydroxyterpineol 8-glucoside

Structural Information

Molecular Formula

C₁₆H₂₈O₇

SMILES

CC(C)(C1CCC(=CC1)CO)OC2C(C(C(C(O2)CO)O)O)O

InChI

InChI=1S/C16H28O7/c1-16(2,10-5-3-9(7-17)4-6-10)23-15-14(21)13(20)12(19)11(8-18)22-15/h3,10-15,17-21H,4-8H2,1-2H3

InChIKey

JLDWWSSQBYGULG-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)-6-[2-[4-(hydroxymethyl)cyclohex-3-en-1-yl]propan-2-yloxy]oxane-3,4,5-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 332.1835 Da
Monoisotopic Mass: -1.0
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]+	333.190776	177.8
[M+Na]+	355.172718	180.4
[M-H]-	331.176224	177.5
[M+NH4]+	350.217323	186.9
[M+K]+	371.146658	179.0
[M+H-H2O]+	315.180760	171.8
[M+HCOO]-	377.181701	185.4
[M+CH3COO]-	391.197351	200.5
[M+Na-2H]-	353.158166	176.9
[M]+	332.18295142	173.8
[M]-	332.18404858	173.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.