CID 409438

56222-08-3

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

CNCC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C8H10N2O2/c1-9-6-7-4-2-3-5-8(7)10(11)12/h2-5,9H,6H2,1H3

InChIKey

WGILVXQNSFDASI-UHFFFAOYSA-N

Compound name

N-methyl-1-(2-nitrophenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 166.07423 Da
Monoisotopic Mass: 1.5
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	145.0
[M+NH4]+	184.10805	140.8
[M+K]+	205.03739	141.2
[M-H]-	165.06695	136.3
[M+Na-2H]-	187.04890	139.4
[M]+	166.07368	135.0
[M]-	166.07478	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe