CID 156637474

2-chloro-4,6-diethylpyridine-3-carbonitrile

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂

SMILES

CCC1=CC(=NC(=C1C#N)Cl)CC

InChI

InChI=1S/C10H11ClN2/c1-3-7-5-8(4-2)13-10(11)9(7)6-12/h5H,3-4H2,1-2H3

InChIKey

JJCJONBMJFQUHP-UHFFFAOYSA-N

Compound name

2-chloro-4,6-diethylpyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 194.06108 Da
Monoisotopic Mass: 3.2
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]+	195.06836	137.9
[M+Na]+	217.05030	152.1
[M+NH4]+	212.09490	143.4
[M+K]+	233.02424	141.6
[M-H]-	193.05380	133.0
[M+Na-2H]-	215.03575	142.7
[M]+	194.06053	138.1
[M]-	194.06163	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe