CID 85301070

2'-methoxy-3-(2,4-dihydroxyphenyl)-1,2-propanediol 4'-glucoside

Structural Information

Molecular Formula
C16H24O9
SMILES
COC1=C(C=CC(=C1)OC2C(C(C(C(O2)CO)O)O)O)CC(CO)O
InChI
InChI=1S/C16H24O9/c1-23-11-5-10(3-2-8(11)4-9(19)6-17)24-16-15(22)14(21)13(20)12(7-18)25-16/h2-3,5,9,12-22H,4,6-7H2,1H3
InChIKey
VXXKDWBEVHGANN-UHFFFAOYSA-N
Compound name
2-[4-(2,3-dihydroxypropyl)-3-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

360.14203 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.14931 180.3
[M+Na]+ 383.13125 184.0
[M-H]- 359.13475 179.5
[M+NH4]+ 378.17585 187.5
[M+K]+ 399.10519 183.3
[M+H-H2O]+ 343.13929 173.1
[M+HCOO]- 405.14023 190.1
[M+CH3COO]- 419.15588 204.6
[M+Na-2H]- 381.11670 178.0
[M]+ 360.14148 180.5
[M]- 360.14258 180.5
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.