CID 78302646

3-furanmethanol glucoside

Structural Information

Molecular Formula

C₁₁H₁₆O₇

SMILES

C1=COC=C1COC2C(C(C(C(O2)CO)O)O)O

InChI

InChI=1S/C11H16O7/c12-3-7-8(13)9(14)10(15)11(18-7)17-5-6-1-2-16-4-6/h1-2,4,7-15H,3,5H2

InChIKey

SPFOGLIFWSAONR-UHFFFAOYSA-N

Compound name

2-(furan-3-ylmethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 260.0896 Da
Monoisotopic Mass: -1.6
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]+	261.096876	154.1
[M+Na]+	283.078818	160.1
[M-H]-	259.082324	157.0
[M+NH4]+	278.123423	167.3
[M+K]+	299.052758	160.0
[M+H-H2O]+	243.086860	148.8
[M+HCOO]-	305.087801	169.3
[M+CH3COO]-	319.103451	184.7
[M+Na-2H]-	281.064266	156.2
[M]+	260.08905142	154.3
[M]-	260.09014858	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe