CID 225837

2-methyl-n-(4-nitrophenyl)propanamide

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₃

SMILES

CC(C)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H12N2O3/c1-7(2)10(13)11-8-3-5-9(6-4-8)12(14)15/h3-7H,1-2H3,(H,11,13)

InChIKey

BXRDRYLJKVRXHE-UHFFFAOYSA-N

Compound name

2-methyl-N-(4-nitrophenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 208.0848 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]+	209.09208	143.6
[M+Na]+	231.07402	154.9
[M+NH4]+	226.11862	150.8
[M+K]+	247.04796	152.8
[M-H]-	207.07752	146.5
[M+Na-2H]-	229.05947	149.0
[M]+	208.08425	145.7
[M]-	208.08535	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe