CID 14239303

Prenyl glucoside

Structural Information

Molecular Formula

C₁₁H₂₀O₆

SMILES

CC(=CCOC1C(C(C(C(O1)CO)O)O)O)C

InChI

InChI=1S/C11H20O6/c1-6(2)3-4-16-11-10(15)9(14)8(13)7(5-12)17-11/h3,7-15H,4-5H2,1-2H3

InChIKey

GQJQCKUJCHMTNF-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)-6-(3-methylbut-2-enoxy)oxane-3,4,5-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 248.12599 Da
Monoisotopic Mass: -0.7
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]+	249.13327	156.2
[M+Na]+	271.11521	161.3
[M-H]-	247.11871	154.7
[M+NH4]+	266.15981	169.8
[M+K]+	287.08915	160.2
[M+H-H2O]+	231.12325	151.0
[M+HCOO]-	293.12419	169.1
[M+CH3COO]-	307.13984	185.9
[M+Na-2H]-	269.10066	155.7
[M]+	248.12544	154.6
[M]-	248.12654	154.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.