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: 71
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]+	195.112806	141.9
[M+Na]+	217.094748	147.8
[M-H]-	193.098254	144.9
[M+NH4]+	212.139353	160.1
[M+K]+	233.068688	141.4
[M+H-H2O]+	177.102790	140.1
[M+HCOO]-	239.103731	167.7
[M+CH3COO]-	253.119381	180.8
[M+Na-2H]-	215.080196	148.8
[M]+	194.10498142	139.7
[M]-	194.10607858	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe