CID 9945189

Eugenol glucoside

Structural Information

Molecular Formula
C16H22O7
SMILES
COC1=C(C=CC(=C1)CC=C)OC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C16H22O7/c1-3-4-9-5-6-10(11(7-9)21-2)22-16-15(20)14(19)13(18)12(8-17)23-16/h3,5-7,12-20H,1,4,8H2,2H3
InChIKey
VADSVXSGIFBZLI-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-(2-methoxy-4-prop-2-enylphenoxy)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

18
References

161
Patents

326.13657 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.14385 174.0
[M+Na]+ 349.12579 179.9
[M-H]- 325.12929 176.1
[M+NH4]+ 344.17039 184.4
[M+K]+ 365.09973 177.8
[M+H-H2O]+ 309.13383 167.0
[M+HCOO]- 371.13477 187.7
[M+CH3COO]- 385.15042 201.8
[M+Na-2H]- 347.11124 173.4
[M]+ 326.13602 174.7
[M]- 326.13712 174.7
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