CID 18379352

74386-55-3

Structural Information

Molecular Formula

C₁₃H₁₁NO₃

SMILES

C1=CC=C(C=C1)COC2=CN=C(C=C2)C(=O)O

InChI

InChI=1S/C13H11NO3/c15-13(16)12-7-6-11(8-14-12)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,15,16)

InChIKey

FQSOASDQLNSXJQ-UHFFFAOYSA-N

Compound name

5-phenylmethoxypyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 91
Patents: 229.0739 Da
Monoisotopic Mass: 2.2
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]+	230.08118	149.8
[M+Na]+	252.06312	163.9
[M+NH4]+	247.10772	157.3
[M+K]+	268.03706	157.4
[M-H]-	228.06662	152.7
[M+Na-2H]-	250.04857	158.7
[M]+	229.07335	152.6
[M]-	229.07445	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe