CID 45360332

(-)-erythro-anethole glycol 2-glucoside

Structural Information

Molecular Formula
C16H24O8
SMILES
CC(C(C1=CC=C(C=C1)OC)O)OC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C16H24O8/c1-8(12(18)9-3-5-10(22-2)6-4-9)23-16-15(21)14(20)13(19)11(7-17)24-16/h3-6,8,11-21H,7H2,1-2H3
InChIKey
JYWSARFDLXXOHT-UHFFFAOYSA-N
Compound name
2-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

344.14713 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.15441 178.3
[M+Na]+ 367.13635 185.8
[M+NH4]+ 362.18095 181.5
[M+K]+ 383.11029 185.1
[M-H]- 343.13985 178.2
[M+Na-2H]- 365.12180 177.8
[M]+ 344.14658 178.7
[M]- 344.14768 178.7
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