CID 61724450

56308-60-2

Structural Information

Molecular Formula

C₁₄H₁₃NO₃

SMILES

CC1=CC(=NC=C1)OC2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C14H13NO3/c1-10-6-7-15-13(8-10)18-12-4-2-11(3-5-12)9-14(16)17/h2-8H,9H2,1H3,(H,16,17)

InChIKey

BZVCSKJCOAVBFE-UHFFFAOYSA-N

Compound name

2-[4-[(4-methyl-2-pyridinyl)oxy]phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.08954 Da
Monoisotopic Mass: 2.5
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]+	244.096816	153.1
[M+Na]+	266.078758	160.9
[M-H]-	242.082264	157.4
[M+NH4]+	261.123363	168.3
[M+K]+	282.052698	157.6
[M+H-H2O]+	226.086800	145.1
[M+HCOO]-	288.087741	174.5
[M+CH3COO]-	302.103391	190.5
[M+Na-2H]-	264.064206	158.2
[M]+	243.08899142	154.5
[M]-	243.09008858	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.