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: 14392
References: 80378
Patents: 228.07864 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe