CID 69269

N,n-dimethyl-3-nitroaniline

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

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

InChI

InChI=1S/C8H10N2O2/c1-9(2)7-4-3-5-8(6-7)10(11)12/h3-6H,1-2H3

InChIKey

CJDICMLSLYHRPT-UHFFFAOYSA-N

Compound name

N,N-dimethyl-3-nitroaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 301
Patents: 166.07423 Da
Monoisotopic Mass: 2.2
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]+	167.08151	132.1
[M+Na]+	189.06345	145.1
[M+NH4]+	184.10805	141.0
[M+K]+	205.03739	141.9
[M-H]-	165.06695	136.6
[M+Na-2H]-	187.04890	139.6
[M]+	166.07368	135.1
[M]-	166.07478	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe