CID 80219464

1521697-99-3

Structural Information

Molecular Formula

C₈H₁₁ClN₂

SMILES

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

InChI

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

InChIKey

VUBSUCPNROIAGJ-UHFFFAOYSA-N

Compound name

1-(5-chloropyridin-2-yl)-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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]+	171.06836	133.8
[M+Na]+	193.05030	147.3
[M+NH4]+	188.09490	143.0
[M+K]+	209.02424	140.2
[M-H]-	169.05380	136.5
[M+Na-2H]-	191.03575	141.6
[M]+	170.06053	136.8
[M]-	170.06163	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.