CID 7483

N-methyl-4-nitroaniline

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

CNC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C7H8N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5,8H,1H3

InChIKey

XIFJZJPMHNUGRA-UHFFFAOYSA-N

Compound name

N-methyl-4-nitroaniline

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 17
References: 1883
Patents: 152.05858 Da
Monoisotopic Mass: 2.0
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]+	153.06586	127.6
[M+Na]+	175.04780	140.7
[M+NH4]+	170.09240	136.4
[M+K]+	191.02174	137.1
[M-H]-	151.05130	131.8
[M+Na-2H]-	173.03325	135.2
[M]+	152.05803	130.5
[M]-	152.05913	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe