CID 74336862

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

Structural Information

Molecular Formula
C16H24O10
SMILES
COC1=C(C=CC(=C1)C(C(CO)OC2C(C(C(C(O2)CO)O)O)O)O)O
InChI
InChI=1S/C16H24O10/c1-24-9-4-7(2-3-8(9)19)12(20)10(5-17)25-16-15(23)14(22)13(21)11(6-18)26-16/h2-4,10-23H,5-6H2,1H3
InChIKey
UKYKCLFPJXHNON-UHFFFAOYSA-N
Compound name
2-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.