CID 22050404

884048-63-9

Structural Information

Molecular Formula

C₁₄H₁₃NO₄

SMILES

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

InChI

InChI=1S/C14H13NO4/c16-13-8-12(6-7-15(13)9-14(17)18)19-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,17,18)

InChIKey

MQKHWXDYRPRSLQ-UHFFFAOYSA-N

Compound name

2-(2-oxo-4-phenylmethoxy-1-pyridinyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 259.08447 Da
Monoisotopic Mass: 1.2
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]+	260.091746	155.2
[M+Na]+	282.073688	163.2
[M-H]-	258.077194	159.6
[M+NH4]+	277.118293	169.6
[M+K]+	298.047628	159.9
[M+H-H2O]+	242.081730	147.0
[M+HCOO]-	304.082671	177.0
[M+CH3COO]-	318.098321	192.0
[M+Na-2H]-	280.059136	160.3
[M]+	259.08392142	157.4
[M]-	259.08501858	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe