CID 12056677

221146-31-2

Structural Information

Molecular Formula

C₈H₁₁ClN₂

SMILES

CN(C)CC1=CN=C(C=C1)Cl

InChI

InChI=1S/C8H11ClN2/c1-11(2)6-7-3-4-8(9)10-5-7/h3-5H,6H2,1-2H3

InChIKey

HVWFBPPAYRVHFD-UHFFFAOYSA-N

Compound name

1-(6-chloropyridin-3-yl)-N,N-dimethylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 170.06108 Da
Monoisotopic Mass: 1.6
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	133.3
[M+Na]+	193.05030	147.4
[M+NH4]+	188.09490	142.8
[M+K]+	209.02424	140.0
[M-H]-	169.05380	136.5
[M+Na-2H]-	191.03575	141.7
[M]+	170.06053	136.5
[M]-	170.06163	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe