CID 14129

4-(4-nitrobenzyl)pyridine

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₂

SMILES

C1=CC(=CC=C1CC2=CC=NC=C2)[N+](=O)[O-]

InChI

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

InChIKey

MNHKUCBXXMFQDM-UHFFFAOYSA-N

Compound name

4-[(4-nitrophenyl)methyl]pyridine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 97
References: 1263
Patents: 214.07423 Da
Monoisotopic Mass: 2.7
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]+	215.081506	144.7
[M+Na]+	237.063448	151.6
[M-H]-	213.066954	150.2
[M+NH4]+	232.108053	160.8
[M+K]+	253.037388	144.3
[M+H-H2O]+	197.071490	141.1
[M+HCOO]-	259.072431	169.5
[M+CH3COO]-	273.088081	181.4
[M+Na-2H]-	235.048896	154.2
[M]+	214.07368142	142.8
[M]-	214.07477858	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe