CID 206360

Picolinic acid, 5-(5-chloropentyl)-

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₂

SMILES

C1=CC(=NC=C1CCCCCCl)C(=O)O

InChI

InChI=1S/C11H14ClNO2/c12-7-3-1-2-4-9-5-6-10(11(14)15)13-8-9/h5-6,8H,1-4,7H2,(H,14,15)

InChIKey

ZOOPILLITPCXKY-UHFFFAOYSA-N

Compound name

5-(5-chloropentyl)pyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.0713 Da
Monoisotopic Mass: 2.8
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]+	228.078576	148.2
[M+Na]+	250.060518	156.0
[M-H]-	226.064024	148.7
[M+NH4]+	245.105123	165.3
[M+K]+	266.034458	151.5
[M+H-H2O]+	210.068560	142.3
[M+HCOO]-	272.069501	164.4
[M+CH3COO]-	286.085151	186.3
[M+Na-2H]-	248.045966	152.6
[M]+	227.07075142	151.3
[M]-	227.07184858	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe