CID 156862456

2713992-91-5

Structural Information

Molecular Formula

C₉H₈ClNO₂

SMILES

C1C(CC2=C1C=CN=C2Cl)C(=O)O

InChI

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

InChIKey

OGCXBPSEXBJMGL-UHFFFAOYSA-N

Compound name

1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
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	137.2
[M+Na]+	220.01357	149.8
[M+NH4]+	215.05817	145.9
[M+K]+	235.98751	145.5
[M-H]-	196.01707	138.0
[M+Na-2H]-	217.99902	142.0
[M]+	197.02380	139.3
[M]-	197.02490	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe