CID 85232921

(+/-)-3-(4-hydroxyphenyl)-1,2-propanediol 4'-o-glucoside

Structural Information

Molecular Formula
C15H22O8
SMILES
C1=CC(=CC=C1CC(CO)O)OC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C15H22O8/c16-6-9(18)5-8-1-3-10(4-2-8)22-15-14(21)13(20)12(19)11(7-17)23-15/h1-4,9,11-21H,5-7H2
InChIKey
UBOMSXSQLRMBSD-UHFFFAOYSA-N
Compound name
2-[4-(2,3-dihydroxypropyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.13147 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.13875 173.8
[M+Na]+ 353.12069 177.5
[M-H]- 329.12419 172.9
[M+NH4]+ 348.16529 182.1
[M+K]+ 369.09463 175.9
[M+H-H2O]+ 313.12873 166.9
[M+HCOO]- 375.12967 183.8
[M+CH3COO]- 389.14532 197.6
[M+Na-2H]- 351.10614 172.4
[M]+ 330.13092 171.8
[M]- 330.13202 171.8
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.