CID 3084296

Eugenyl glucoside

Structural Information

Molecular Formula
C16H22O7
SMILES
COC1=C(C=CC(=C1)CC=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](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/t12-,13-,14+,15-,16-/m1/s1
InChIKey
VADSVXSGIFBZLI-IBEHDNSVSA-N
Compound name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methoxy-4-prop-2-enylphenoxy)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

18
References

129
Patents

326.13657 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.143846 174.0
[M+Na]+ 349.125788 179.9
[M-H]- 325.129294 176.1
[M+NH4]+ 344.170393 184.4
[M+K]+ 365.099728 177.8
[M+H-H2O]+ 309.133830 167.0
[M+HCOO]- 371.134771 187.7
[M+CH3COO]- 385.150421 201.8
[M+Na-2H]- 347.111236 173.4
[M]+ 326.13602142 174.7
[M]- 326.13711858 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