CID 80450

6270-07-1

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₃

SMILES

CC(=O)NCCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H12N2O3/c1-8(13)11-7-6-9-2-4-10(5-3-9)12(14)15/h2-5H,6-7H2,1H3,(H,11,13)

InChIKey

DIRUSBMKFDPKDI-UHFFFAOYSA-N

Compound name

N-[2-(4-nitrophenyl)ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 36
Patents: 208.0848 Da
Monoisotopic Mass: 1.5
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]+	209.09208	143.7
[M+Na]+	231.07402	155.4
[M+NH4]+	226.11862	151.1
[M+K]+	247.04796	152.4
[M-H]-	207.07752	146.8
[M+Na-2H]-	229.05947	149.5
[M]+	208.08425	145.9
[M]-	208.08535	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe