CID 445154

Resveratrol

Structural Information

Molecular Formula
C14H12O3
SMILES
C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O
InChI
InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
InChIKey
LUKBXSAWLPMMSZ-OWOJBTEDSA-N
Compound name
5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

14292
References

74947
Patents

228.07864 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08592 150.7
[M+Na]+ 251.06786 164.8
[M+NH4]+ 246.11246 158.3
[M+K]+ 267.04180 158.0
[M-H]- 227.07136 153.7
[M+Na-2H]- 249.05331 158.5
[M]+ 228.07809 153.5
[M]- 228.07919 153.5
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