CID 15256880

N,3-dimethyl-2-nitroaniline

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

CC1=C(C(=CC=C1)NC)[N+](=O)[O-]

InChI

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

InChIKey

LCJLKXGPJUXKDV-UHFFFAOYSA-N

Compound name

N,3-dimethyl-2-nitroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 166.07423 Da
Monoisotopic Mass: 2.6
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	132.0
[M+Na]+	189.06345	145.3
[M+NH4]+	184.10805	140.7
[M+K]+	205.03739	141.7
[M-H]-	165.06695	136.3
[M+Na-2H]-	187.04890	139.1
[M]+	166.07368	134.9
[M]-	166.07478	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe