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
10
Annotation Hits

14452
References

73988
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 149.3
[M+Na]+ 251.06786 157.7
[M-H]- 227.07136 152.7
[M+NH4]+ 246.11246 165.6
[M+K]+ 267.04180 152.3
[M+H-H2O]+ 211.07590 143.0
[M+HCOO]- 273.07684 170.0
[M+CH3COO]- 287.09249 182.7
[M+Na-2H]- 249.05331 153.9
[M]+ 228.07809 147.6
[M]- 228.07919 147.6
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.