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: 18
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]+	219.06836	146.6
[M+Na]+	241.05030	162.1
[M+NH4]+	236.09490	156.2
[M+K]+	257.02424	153.7
[M-H]-	217.05380	151.9
[M+Na-2H]-	239.03575	157.1
[M]+	218.06053	150.7
[M]-	218.06163	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe