CID 58246229

1190644-32-6

Structural Information

Molecular Formula

C₁₀H₉ClN₂

SMILES

C1CC(C1)(C#N)C2=NC(=CC=C2)Cl

InChI

InChI=1S/C10H9ClN2/c11-9-4-1-3-8(13-9)10(7-12)5-2-6-10/h1,3-4H,2,5-6H2

InChIKey

CUPUUAIHPSDYIY-UHFFFAOYSA-N

Compound name

1-(6-chloro-2-pyridinyl)cyclobutane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 192.04543 Da
Monoisotopic Mass: 2.4
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]+	193.052706	131.9
[M+Na]+	215.034648	142.4
[M-H]-	191.038154	136.4
[M+NH4]+	210.079253	145.2
[M+K]+	231.008588	140.4
[M+H-H2O]+	175.042690	115.8
[M+HCOO]-	237.043631	146.1
[M+CH3COO]-	251.059281	196.0
[M+Na-2H]-	213.020096	139.2
[M]+	192.04488142	135.2
[M]-	192.04597858	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe