CID 90238624

4-(6-chloropyridin-2-yl)butanoicacid

Structural Information

Molecular Formula

C₉H₁₀ClNO₂

SMILES

C1=CC(=NC(=C1)Cl)CCCC(=O)O

InChI

InChI=1S/C9H10ClNO2/c10-8-5-1-3-7(11-8)4-2-6-9(12)13/h1,3,5H,2,4,6H2,(H,12,13)

InChIKey

SUFPCLKXHDZUKD-UHFFFAOYSA-N

Compound name

4-(6-chloropyridin-2-yl)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 199.04001 Da
Monoisotopic Mass: 2.0
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]+	200.04729	139.6
[M+Na]+	222.02923	152.8
[M+NH4]+	217.07383	147.4
[M+K]+	238.00317	146.4
[M-H]-	198.03273	140.3
[M+Na-2H]-	220.01468	145.9
[M]+	199.03946	141.9
[M]-	199.04056	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe