CID 242043

60049-54-9

Structural Information

Molecular Formula

C₁₉H₁₆O₃

SMILES

COC1=CC=C(C2=CC=CC=C21)CC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H16O3/c1-22-18-11-10-14(15-7-4-5-9-17(15)18)12-13-6-2-3-8-16(13)19(20)21/h2-11H,12H2,1H3,(H,20,21)

InChIKey

DZLDQAMPFVLWLG-UHFFFAOYSA-N

Compound name

2-[(4-methoxynaphthalen-1-yl)methyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 292.10995 Da
Monoisotopic Mass: 4.6
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]+	293.11723	166.9
[M+Na]+	315.09917	174.7
[M-H]-	291.10267	173.3
[M+NH4]+	310.14377	182.5
[M+K]+	331.07311	169.9
[M+H-H2O]+	275.10721	158.9
[M+HCOO]-	337.10815	187.5
[M+CH3COO]-	351.12380	201.9
[M+Na-2H]-	313.08462	171.6
[M]+	292.10940	168.6
[M]-	292.11050	168.6

Literature stripe

literature stripe

Patent stripe

patents stripe