CID 74583

1826-56-8

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₃

SMILES

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

InChI

InChI=1S/C10H12N2O3/c1-3-11(8(2)13)9-4-6-10(7-5-9)12(14)15/h4-7H,3H2,1-2H3

InChIKey

POGUNGMMMFNPOE-UHFFFAOYSA-N

Compound name

N-ethyl-N-(4-nitrophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 29
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	143.5
[M+Na]+	231.07402	149.6
[M-H]-	207.07752	148.7
[M+NH4]+	226.11862	161.9
[M+K]+	247.04796	145.4
[M+H-H2O]+	191.08206	141.6
[M+HCOO]-	253.08300	169.9
[M+CH3COO]-	267.09865	186.2
[M+Na-2H]-	229.05947	149.7
[M]+	208.08425	143.5
[M]-	208.08535	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe