CID 165941241

Potassium 2-(2-methylpyridin-3-yl)propanoate

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CC1=C(C=CC=N1)C(C)C(=O)O

InChI

InChI=1S/C9H11NO2/c1-6(9(11)12)8-4-3-5-10-7(8)2/h3-6H,1-2H3,(H,11,12)

InChIKey

JDNFNQDGZBJLLK-UHFFFAOYSA-N

Compound name

2-(2-methyl-3-pyridinyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 165.07898 Da
Monoisotopic Mass: 1.3
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]+	166.086256	133.8
[M+Na]+	188.068198	141.5
[M-H]-	164.071704	135.0
[M+NH4]+	183.112803	152.5
[M+K]+	204.042138	140.0
[M+H-H2O]+	148.076240	127.7
[M+HCOO]-	210.077181	154.2
[M+CH3COO]-	224.092831	177.3
[M+Na-2H]-	186.053646	138.5
[M]+	165.07843142	133.6
[M]-	165.07952858	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe