CID 61398253

2-[3-(pyridin-2-ylmethoxy)phenyl]acetic acid

Structural Information

Molecular Formula

C₁₄H₁₃NO₃

SMILES

C1=CC=NC(=C1)COC2=CC=CC(=C2)CC(=O)O

InChI

InChI=1S/C14H13NO3/c16-14(17)9-11-4-3-6-13(8-11)18-10-12-5-1-2-7-15-12/h1-8H,9-10H2,(H,16,17)

InChIKey

JREBDOQLTLBUIN-UHFFFAOYSA-N

Compound name

2-[3-(pyridin-2-ylmethoxy)phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.08954 Da
Monoisotopic Mass: 1.8
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	153.3
[M+Na]+	266.078758	160.2
[M-H]-	242.082264	157.2
[M+NH4]+	261.123363	168.2
[M+K]+	282.052698	156.8
[M+H-H2O]+	226.086800	145.0
[M+HCOO]-	288.087741	174.7
[M+CH3COO]-	302.103391	189.4
[M+Na-2H]-	264.064206	159.1
[M]+	243.08899142	154.3
[M]-	243.09008858	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.