CID 73811122

4-hydroxy-3-(2-hydroxyethyl)acetophenone 4-glucoside

Structural Information

Molecular Formula
C16H22O8
SMILES
CC(=O)C1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)CCO
InChI
InChI=1S/C16H22O8/c1-8(19)9-2-3-11(10(6-9)4-5-17)23-16-15(22)14(21)13(20)12(7-18)24-16/h2-3,6,12-18,20-22H,4-5,7H2,1H3
InChIKey
NHMZPJFIGAJCPH-UHFFFAOYSA-N
Compound name
1-[3-(2-hydroxyethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

342.13147 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.13875 177.7
[M+Na]+ 365.12069 185.9
[M+NH4]+ 360.16529 180.7
[M+K]+ 381.09463 184.6
[M-H]- 341.12419 177.6
[M+Na-2H]- 363.10614 177.2
[M]+ 342.13092 178.2
[M]- 342.13202 178.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.