CID 12950066

19008-62-9

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

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

InChI

InChI=1S/C8H10N2O2/c9-5-4-7-2-1-3-8(6-7)10(11)12/h1-3,6H,4-5,9H2

InChIKey

WEPKDBHGQDETGY-UHFFFAOYSA-N

Compound name

2-(3-nitrophenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 252
Patents: 166.07423 Da
Monoisotopic Mass: 1.4
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	144.6
[M+NH4]+	184.10805	140.6
[M+K]+	205.03739	141.1
[M-H]-	165.06695	136.1
[M+Na-2H]-	187.04890	138.9
[M]+	166.07368	134.8
[M]-	166.07478	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe