CID 72212006

1060811-81-5

Structural Information

Molecular Formula

C₉H₈ClNO₂

SMILES

C1CC1(C2=C(N=CC=C2)Cl)C(=O)O

InChI

InChI=1S/C9H8ClNO2/c10-7-6(2-1-5-11-7)9(3-4-9)8(12)13/h1-2,5H,3-4H2,(H,12,13)

InChIKey

LOPQUZKJRRGULJ-UHFFFAOYSA-N

Compound name

1-(2-chloropyridin-3-yl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 197.02435 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]+	198.03163	140.8
[M+Na]+	220.01357	155.7
[M+NH4]+	215.05817	151.1
[M+K]+	235.98751	149.2
[M-H]-	196.01707	149.9
[M+Na-2H]-	217.99902	152.1
[M]+	197.02380	147.1
[M]-	197.02490	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe