CID 3159630

86649-57-2

Structural Information

Molecular Formula

SMILES

C1=CC(=CN=C1)OCC(=O)O

InChI

InChI=1S/C7H7NO3/c9-7(10)5-11-6-2-1-3-8-4-6/h1-4H,5H2,(H,9,10)

InChIKey

MBEPWLCDXKKANL-UHFFFAOYSA-N

Compound name

2-pyridin-3-yloxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 350
Patents: 153.04259 Da
Monoisotopic Mass: 0.6
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]+	154.04987	129.1
[M+Na]+	176.03181	141.0
[M+NH4]+	171.07641	136.3
[M+K]+	192.00575	136.2
[M-H]-	152.03531	129.2
[M+Na-2H]-	174.01726	135.5
[M]+	153.04204	130.6
[M]-	153.04314	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe