CID 10845488

4-(4-nitrophenyl)butan-1-amine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

C1=CC(=CC=C1CCCCN)[N+](=O)[O-]

InChI

InChI=1S/C10H14N2O2/c11-8-2-1-3-9-4-6-10(7-5-9)12(13)14/h4-7H,1-3,8,11H2

InChIKey

QPHLFSGMBIJFRA-UHFFFAOYSA-N

Compound name

4-(4-nitrophenyl)butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 194.10553 Da
Monoisotopic Mass: 2.3
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]+	195.11281	141.2
[M+Na]+	217.09475	153.3
[M+NH4]+	212.13935	149.4
[M+K]+	233.06869	149.3
[M-H]-	193.09825	145.1
[M+Na-2H]-	215.08020	147.5
[M]+	194.10498	143.8
[M]-	194.10608	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe