CID 215893

36701-93-6

Structural Information

Molecular Formula

C₁₄H₁₃NO₃

SMILES

CC1=C(C(=CC=C1)OC2=C(C=CC=N2)C(=O)O)C

InChI

InChI=1S/C14H13NO3/c1-9-5-3-7-12(10(9)2)18-13-11(14(16)17)6-4-8-15-13/h3-8H,1-2H3,(H,16,17)

InChIKey

MZRXWDXILSKNAZ-UHFFFAOYSA-N

Compound name

2-(2,3-dimethylphenoxy)pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 243.08954 Da
Monoisotopic Mass: 3.0
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]+	244.09682	152.7
[M+Na]+	266.07876	161.5
[M-H]-	242.08226	157.5
[M+NH4]+	261.12336	168.3
[M+K]+	282.05270	158.3
[M+H-H2O]+	226.08680	145.0
[M+HCOO]-	288.08774	174.1
[M+CH3COO]-	302.10339	191.8
[M+Na-2H]-	264.06421	157.1
[M]+	243.08899	154.6
[M]-	243.09009	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe