CID 14485081

Ethyl[(2-nitrophenyl)methyl]amine hydrochloride

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

CCNCC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C9H12N2O2/c1-2-10-7-8-5-3-4-6-9(8)11(12)13/h3-6,10H,2,7H2,1H3

InChIKey

OBWDZKHLYOUOCP-UHFFFAOYSA-N

Compound name

N-[(2-nitrophenyl)methyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 180.08987 Da
Monoisotopic Mass: 1.9
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]+	181.09715	136.7
[M+Na]+	203.07909	149.4
[M+NH4]+	198.12369	145.2
[M+K]+	219.05303	145.4
[M-H]-	179.08259	140.8
[M+Na-2H]-	201.06454	143.7
[M]+	180.08932	139.5
[M]-	180.09042	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe