CID 76503563

2-hydroxyphenylacetic acid o-b-d-glucoside

Structural Information

Molecular Formula

C₁₄H₁₈O₈

SMILES

C1=CC=C(C(=C1)CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O

InChI

InChI=1S/C14H18O8/c15-6-9-11(18)12(19)13(20)14(22-9)21-8-4-2-1-3-7(8)5-10(16)17/h1-4,9,11-15,18-20H,5-6H2,(H,16,17)

InChIKey

XEYDWXMYBFXGFT-UHFFFAOYSA-N

Compound name

2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 314.10016 Da
Monoisotopic Mass: -0.9
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]+	315.107436	167.6
[M+Na]+	337.089378	172.5
[M-H]-	313.092884	168.4
[M+NH4]+	332.133983	177.3
[M+K]+	353.063318	171.3
[M+H-H2O]+	297.097420	160.8
[M+HCOO]-	359.098361	179.8
[M+CH3COO]-	373.114011	195.9
[M+Na-2H]-	335.074826	167.3
[M]+	314.09961142	166.3
[M]-	314.10070858	166.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.