CID 69292

2-(p-nitrobenzyl)pyridine

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₂

SMILES

C1=CC=NC(=C1)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O2/c15-14(16)12-6-4-10(5-7-12)9-11-3-1-2-8-13-11/h1-8H,9H2

InChIKey

YBRDBYGCEIDLBX-UHFFFAOYSA-N

Compound name

2-[(4-nitrophenyl)methyl]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 159
Patents: 214.07423 Da
Monoisotopic Mass: 2.6
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]+	215.08151	144.1
[M+Na]+	237.06345	160.2
[M+NH4]+	232.10805	153.1
[M+K]+	253.03739	154.8
[M-H]-	213.06695	150.0
[M+Na-2H]-	235.04890	154.6
[M]+	214.07368	148.1
[M]-	214.07478	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe