CID 58751475

5-chloro-3-(propan-2-yl)pyridin-2-amine

Structural Information

Molecular Formula

C₈H₁₁ClN₂

SMILES

CC(C)C1=C(N=CC(=C1)Cl)N

InChI

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

InChIKey

LUDLKTOMAGJVRK-UHFFFAOYSA-N

Compound name

5-chloro-3-propan-2-ylpyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 170.06108 Da
Monoisotopic Mass: 2.3
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	133.7
[M+Na]+	193.05030	147.3
[M+NH4]+	188.09490	142.8
[M+K]+	209.02424	140.7
[M-H]-	169.05380	136.3
[M+Na-2H]-	191.03575	140.8
[M]+	170.06053	136.6
[M]-	170.06163	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe