CID 14482380

4-(tert-butyl)picolinic acid hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CC(C)(C)C1=CC(=NC=C1)C(=O)O

InChI

InChI=1S/C10H13NO2/c1-10(2,3)7-4-5-11-8(6-7)9(12)13/h4-6H,1-3H3,(H,12,13)

InChIKey

HDKBJZCKLMQKKD-UHFFFAOYSA-N

Compound name

4-tert-butylpyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 179.09464 Da
Monoisotopic Mass: 2.4
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]+	180.10192	139.1
[M+Na]+	202.08386	151.0
[M+NH4]+	197.12846	146.3
[M+K]+	218.05780	146.4
[M-H]-	178.08736	139.1
[M+Na-2H]-	200.06931	144.9
[M]+	179.09409	140.7
[M]-	179.09519	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe