CID 591996

1-(3-nitrophenyl)ethanamine hydrochloride

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

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

InChI

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

InChIKey

AVIBPONLEKDCPQ-UHFFFAOYSA-N

Compound name

1-(3-nitrophenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 166.07423 Da
Monoisotopic Mass: 1.3
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	132.2
[M+Na]+	189.06345	144.4
[M+NH4]+	184.10805	140.6
[M+K]+	205.03739	141.7
[M-H]-	165.06695	136.0
[M+Na-2H]-	187.04890	138.7
[M]+	166.07368	134.8
[M]-	166.07478	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe