CID 6498817

883548-10-5

Structural Information

Molecular Formula

C₁₂H₁₁ClN₂

SMILES

C1=CC(=CN=C1)C(C2=CC=C(C=C2)Cl)N

InChI

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

InChIKey

BGUVQMLTPOSSPH-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)-pyridin-3-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 218.06108 Da
Monoisotopic Mass: 2.0
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	146.0
[M+Na]+	241.050298	154.2
[M-H]-	217.053804	150.8
[M+NH4]+	236.094903	163.2
[M+K]+	257.024238	148.7
[M+H-H2O]+	201.058340	138.8
[M+HCOO]-	263.059281	164.6
[M+CH3COO]-	277.074931	158.5
[M+Na-2H]-	239.035746	152.3
[M]+	218.06053142	145.2
[M]-	218.06162858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe