CID 73118380

(1x,2x)-guaiacylglycerol 3-glucoside

Structural Information

Molecular Formula
C16H24O10
SMILES
COC1=C(C=CC(=C1)C(C(COC2C(C(C(C(O2)CO)O)O)O)O)O)O
InChI
InChI=1S/C16H24O10/c1-24-10-4-7(2-3-8(10)18)12(20)9(19)6-25-16-15(23)14(22)13(21)11(5-17)26-16/h2-4,9,11-23H,5-6H2,1H3
InChIKey
JUYHDXTVLYGGTJ-UHFFFAOYSA-N
Compound name
2-[2,3-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

376.13693 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.14421 182.4
[M+Na]+ 399.12615 185.1
[M-H]- 375.12965 180.3
[M+NH4]+ 394.17075 188.0
[M+K]+ 415.10009 185.2
[M+H-H2O]+ 359.13419 175.3
[M+HCOO]- 421.13513 189.8
[M+CH3COO]- 435.15078 206.5
[M+Na-2H]- 397.11160 178.7
[M]+ 376.13638 181.7
[M]- 376.13748 181.7
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

patents stripe