CID 83186

13159-80-3

Structural Information

Molecular Formula

C₁₂H₁₁ClN₂

SMILES

C1=CC(=CC=C1CNC2=CC=NC=C2)Cl

InChI

InChI=1S/C12H11ClN2/c13-11-3-1-10(2-4-11)9-15-12-5-7-14-8-6-12/h1-8H,9H2,(H,14,15)

InChIKey

HIALJOTZJYQLCG-UHFFFAOYSA-N

Compound name

N-[(4-chlorophenyl)methyl]pyridin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 218.06108 Da
Monoisotopic Mass: 3.0
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]+	219.068356	145.4
[M+Na]+	241.050298	153.8
[M-H]-	217.053804	150.4
[M+NH4]+	236.094903	162.9
[M+K]+	257.024238	148.2
[M+H-H2O]+	201.058340	137.9
[M+HCOO]-	263.059281	165.5
[M+CH3COO]-	277.074931	158.1
[M+Na-2H]-	239.035746	153.8
[M]+	218.06053142	146.0
[M]-	218.06162858	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe