CID 96307

6530-36-5

Structural Information

Molecular Formula

C₁₃H₁₂N₂O

SMILES

C1=CC=C(C=C1)CON=CC2=CC=NC=C2

InChI

InChI=1S/C13H12N2O/c1-2-4-13(5-3-1)11-16-15-10-12-6-8-14-9-7-12/h1-10H,11H2

InChIKey

DUCOZYAQYJSURU-UHFFFAOYSA-N

Compound name

N-phenylmethoxy-1-pyridin-4-ylmethanimine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 4
Patents: 212.09496 Da
Monoisotopic Mass: 2.4
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]+	213.102236	145.3
[M+Na]+	235.084178	152.3
[M-H]-	211.087684	151.7
[M+NH4]+	230.128783	162.5
[M+K]+	251.058118	149.1
[M+H-H2O]+	195.092220	136.5
[M+HCOO]-	257.093161	171.7
[M+CH3COO]-	271.108811	189.7
[M+Na-2H]-	233.069626	155.0
[M]+	212.09441142	146.3
[M]-	212.09550858	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe