CID 115008734

2-(3-chloropyridin-4-yl)propan-2-amine

Structural Information

Molecular Formula

C₈H₁₁ClN₂

SMILES

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

InChI

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

InChIKey

FGJJKRSUWGOXFP-UHFFFAOYSA-N

Compound name

2-(3-chloro-4-pyridinyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 170.06108 Da
Monoisotopic Mass: 0.9
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	135.1
[M+Na]+	193.050298	144.3
[M-H]-	169.053804	137.2
[M+NH4]+	188.094903	154.9
[M+K]+	209.024238	140.5
[M+H-H2O]+	153.058340	129.9
[M+HCOO]-	215.059281	152.9
[M+CH3COO]-	229.074931	180.4
[M+Na-2H]-	191.035746	142.5
[M]+	170.06053142	135.2
[M]-	170.06162858	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe