CID 72213675

2007920-71-8

Structural Information

Molecular Formula

C₉H₁₁ClN₂

SMILES

C1CC(C1)(C2=CN=C(C=C2)Cl)N

InChI

InChI=1S/C9H11ClN2/c10-8-3-2-7(6-12-8)9(11)4-1-5-9/h2-3,6H,1,4-5,11H2

InChIKey

MTUNMENRAFETMO-UHFFFAOYSA-N

Compound name

1-(6-chloropyridin-3-yl)cyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 182.06108 Da
Monoisotopic Mass: 1.4
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]+	183.06836	134.1
[M+Na]+	205.05030	142.0
[M-H]-	181.05380	138.8
[M+NH4]+	200.09490	148.6
[M+K]+	221.02424	140.7
[M+H-H2O]+	165.05834	123.5
[M+HCOO]-	227.05928	151.7
[M+CH3COO]-	241.07493	184.1
[M+Na-2H]-	203.03575	141.2
[M]+	182.06053	141.2
[M]-	182.06163	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe