CID 53404893

4'-o-acetyl-resveratrol

Structural Information

Molecular Formula

C₁₆H₁₄O₄

SMILES

CC(=O)OC1=CC=C(C=C1)C=CC2=CC(=CC(=C2)O)O

InChI

InChI=1S/C16H14O4/c1-11(17)20-16-6-4-12(5-7-16)2-3-13-8-14(18)10-15(19)9-13/h2-10,18-19H,1H3

InChIKey

MEMZFJTYLFBJEC-UHFFFAOYSA-N

Compound name

[4-[2-(3,5-dihydroxyphenyl)ethenyl]phenyl] acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 117
Patents: 270.0892 Da
Monoisotopic Mass: 3.2
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]+	271.09648	160.1
[M+Na]+	293.07842	167.9
[M-H]-	269.08192	164.7
[M+NH4]+	288.12302	175.2
[M+K]+	309.05236	163.6
[M+H-H2O]+	253.08646	153.1
[M+HCOO]-	315.08740	181.0
[M+CH3COO]-	329.10305	192.8
[M+Na-2H]-	291.06387	162.9
[M]+	270.08865	160.9
[M]-	270.08975	160.9

Literature stripe

literature stripe

Patent stripe

patents stripe