CID 2775258

52095-57-5

Structural Information

Molecular Formula

C₁₂H₁₂N₂

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=N2)N

InChI

InChI=1S/C12H12N2/c13-12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-9,12H,13H2

InChIKey

BAEZXIOBOOEPOS-UHFFFAOYSA-N

Compound name

phenyl(pyridin-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 190
Patents: 184.10005 Da
Monoisotopic Mass: 1.3
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]+	185.10733	139.5
[M+Na]+	207.08927	145.9
[M-H]-	183.09277	144.2
[M+NH4]+	202.13387	156.9
[M+K]+	223.06321	142.3
[M+H-H2O]+	167.09731	131.5
[M+HCOO]-	229.09825	162.7
[M+CH3COO]-	243.11390	152.0
[M+Na-2H]-	205.07472	147.1
[M]+	184.09950	136.1
[M]-	184.10060	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe