CID 75185

N,n-diethyl-4-nitroaniline

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C10H14N2O2/c1-3-11(4-2)9-5-7-10(8-6-9)12(13)14/h5-8H,3-4H2,1-2H3

InChIKey

CFPIZMWTMRWZRO-UHFFFAOYSA-N

Compound name

N,N-diethyl-4-nitroaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 108
Patents: 194.10553 Da
Monoisotopic Mass: 3.0
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]+	195.11281	141.2
[M+Na]+	217.09475	153.8
[M+NH4]+	212.13935	149.8
[M+K]+	233.06869	150.1
[M-H]-	193.09825	145.6
[M+Na-2H]-	215.08020	148.2
[M]+	194.10498	144.1
[M]-	194.10608	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe