CID 3391430

60597-68-4

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂O

SMILES

C1CCN(C1)C(=O)C2=C(N=CC=C2)Cl

InChI

InChI=1S/C10H11ClN2O/c11-9-8(4-3-5-12-9)10(14)13-6-1-2-7-13/h3-5H,1-2,6-7H2

InChIKey

ILYOSYIJGVKBAA-UHFFFAOYSA-N

Compound name

(2-chloropyridin-3-yl)-pyrrolidin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 210.05598 Da
Monoisotopic Mass: 1.8
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]+	211.06326	144.6
[M+Na]+	233.04520	152.5
[M-H]-	209.04870	148.2
[M+NH4]+	228.08980	163.0
[M+K]+	249.01914	148.6
[M+H-H2O]+	193.05324	136.9
[M+HCOO]-	255.05418	160.3
[M+CH3COO]-	269.06983	182.2
[M+Na-2H]-	231.03065	147.6
[M]+	210.05543	143.5
[M]-	210.05653	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe