CID 3851439

71718-88-2

Structural Information

Molecular Formula

C₁₃H₁₂N₂

SMILES

C1=CC=C(C=C1)CN=CC2=CN=CC=C2

InChI

InChI=1S/C13H12N2/c1-2-5-12(6-3-1)9-15-11-13-7-4-8-14-10-13/h1-8,10-11H,9H2

InChIKey

DXDPRQLAIWIMDP-UHFFFAOYSA-N

Compound name

N-benzyl-1-pyridin-3-ylmethanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 196.10005 Da
Monoisotopic Mass: 2.1
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]+	197.10733	143.8
[M+Na]+	219.08927	159.2
[M+NH4]+	214.13387	153.4
[M+K]+	235.06321	149.8
[M-H]-	195.09277	149.6
[M+Na-2H]-	217.07472	155.6
[M]+	196.09950	147.8
[M]-	196.10060	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe