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

3
Annotation Hits: 7
References: 125
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]+	195.112806	141.7
[M+Na]+	217.094748	147.8
[M-H]-	193.098254	146.7
[M+NH4]+	212.139353	160.8
[M+K]+	233.068688	143.3
[M+H-H2O]+	177.102790	139.8
[M+HCOO]-	239.103731	168.7
[M+CH3COO]-	253.119381	185.2
[M+Na-2H]-	215.080196	148.9
[M]+	194.10498142	141.8
[M]-	194.10607858	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe