CID 3055221

5-(3-chloropropoxy)picolinic acid

Structural Information

Molecular Formula

C₉H₁₀ClNO₃

SMILES

C1=CC(=NC=C1OCCCCl)C(=O)O

InChI

InChI=1S/C9H10ClNO3/c10-4-1-5-14-7-2-3-8(9(12)13)11-6-7/h2-3,6H,1,4-5H2,(H,12,13)

InChIKey

YQGKMQPCIMTPCB-UHFFFAOYSA-N

Compound name

5-(3-chloropropoxy)pyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 215.03493 Da
Monoisotopic Mass: 1.6
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]+	216.04221	142.5
[M+Na]+	238.02415	155.1
[M+NH4]+	233.06875	149.6
[M+K]+	253.99809	149.3
[M-H]-	214.02765	142.6
[M+Na-2H]-	236.00960	148.3
[M]+	215.03438	144.4
[M]-	215.03548	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe