CID 499408

Trans-n-(2-pyridylmethylene)aniline

Structural Information

Molecular Formula

C₁₂H₁₀N₂

SMILES

C1=CC=C(C=C1)N=CC2=CC=CC=N2

InChI

InChI=1S/C12H10N2/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13-12/h1-10H

InChIKey

CSGRSRYPHUABSU-UHFFFAOYSA-N

Compound name

N-phenyl-1-pyridin-2-ylmethanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 179
Patents: 182.0844 Da
Monoisotopic Mass: 2.5
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]+	183.091676	137.4
[M+Na]+	205.073618	144.9
[M-H]-	181.077124	143.9
[M+NH4]+	200.118223	155.9
[M+K]+	221.047558	141.4
[M+H-H2O]+	165.081660	129.0
[M+HCOO]-	227.082601	163.9
[M+CH3COO]-	241.098251	151.0
[M+Na-2H]-	203.059066	147.6
[M]+	182.08385142	136.6
[M]-	182.08494858	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe