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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.10744 168.9
[M+Na]+ 337.08938 177.3
[M+NH4]+ 332.13398 172.4
[M+K]+ 353.06332 176.2
[M-H]- 313.09288 168.9
[M+Na-2H]- 335.07483 169.2
[M]+ 314.09961 169.5
[M]- 314.10071 169.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.