CID 7131303

14588-60-4

Structural Information

Molecular Formula

C₁₆H₁₆O₅

SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(=O)O

InChI

InChI=1S/C16H16O5/c1-19-13-8-12(16(17)18)9-14(20-2)15(13)21-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,17,18)

InChIKey

OVCCGNWMGBKDIZ-UHFFFAOYSA-N

Compound name

3,5-dimethoxy-4-phenylmethoxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 288.09976 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]+	289.107036	163.3
[M+Na]+	311.088978	170.8
[M-H]-	287.092484	169.1
[M+NH4]+	306.133583	178.1
[M+K]+	327.062918	168.7
[M+H-H2O]+	271.097020	155.5
[M+HCOO]-	333.097961	185.7
[M+CH3COO]-	347.113611	199.4
[M+Na-2H]-	309.074426	166.6
[M]+	288.09921142	168.2
[M]-	288.10030858	168.2

Literature stripe

literature stripe

Patent stripe

patents stripe