CID 6475925

Schembl13755051

Structural Information

Molecular Formula

C₁₇H₁₆O₅

SMILES

COC1=C(C=CC(=C1)/C=C(/C(=O)O)\O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H16O5/c1-21-16-10-13(9-14(18)17(19)20)7-8-15(16)22-11-12-5-3-2-4-6-12/h2-10,18H,11H2,1H3,(H,19,20)/b14-9-

InChIKey

HWNDVIFNNWNPOZ-ZROIWOOFSA-N

Compound name

(Z)-2-hydroxy-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 300.09976 Da
Monoisotopic Mass: 2.9
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]+	301.107036	167.7
[M+Na]+	323.088978	173.5
[M-H]-	299.092484	171.6
[M+NH4]+	318.133583	180.9
[M+K]+	339.062918	170.2
[M+H-H2O]+	283.097020	160.0
[M+HCOO]-	345.097961	187.4
[M+CH3COO]-	359.113611	198.3
[M+Na-2H]-	321.074426	169.5
[M]+	300.09921142	169.3
[M]-	300.10030858	169.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe