CID 62631745

1237977-52-4

Structural Information

Molecular Formula

C₁₁H₁₁ClN₂

SMILES

C1CCC(C1)C2=NC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C11H11ClN2/c12-11-9(7-13)5-6-10(14-11)8-3-1-2-4-8/h5-6,8H,1-4H2

InChIKey

JAHGFVVFCUYPGT-UHFFFAOYSA-N

Compound name

2-chloro-6-cyclopentylpyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 206.06108 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]+	207.068356	145.3
[M+Na]+	229.050298	156.2
[M-H]-	205.053804	149.2
[M+NH4]+	224.094903	163.4
[M+K]+	245.024238	149.5
[M+H-H2O]+	189.058340	131.9
[M+HCOO]-	251.059281	159.4
[M+CH3COO]-	265.074931	156.7
[M+Na-2H]-	227.035746	148.1
[M]+	206.06053142	139.3
[M]-	206.06162858	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe