CID 103845916

[1-(3-chloropyridin-2-yl)ethyl](methyl)amine

Structural Information

Molecular Formula

C₈H₁₁ClN₂

SMILES

CC(C1=C(C=CC=N1)Cl)NC

InChI

InChI=1S/C8H11ClN2/c1-6(10-2)8-7(9)4-3-5-11-8/h3-6,10H,1-2H3

InChIKey

BWPYPVXGCJVRMG-UHFFFAOYSA-N

Compound name

1-(3-chloro-2-pyridinyl)-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 170.06108 Da
Monoisotopic Mass: 1.3
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]+	171.068356	134.0
[M+Na]+	193.050298	142.5
[M-H]-	169.053804	136.4
[M+NH4]+	188.094903	153.9
[M+K]+	209.024238	139.1
[M+H-H2O]+	153.058340	128.3
[M+HCOO]-	215.059281	153.1
[M+CH3COO]-	229.074931	181.6
[M+Na-2H]-	191.035746	140.8
[M]+	170.06053142	135.0
[M]-	170.06162858	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe