CID 13905385

[(4-nitrophenyl)methyl](propan-2-yl)amine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CC(C)NCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H14N2O2/c1-8(2)11-7-9-3-5-10(6-4-9)12(13)14/h3-6,8,11H,7H2,1-2H3

InChIKey

QNGBQYXZCFXBHP-UHFFFAOYSA-N

Compound name

N-[(4-nitrophenyl)methyl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
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	141.3
[M+Na]+	217.09475	153.5
[M+NH4]+	212.13935	149.6
[M+K]+	233.06869	150.0
[M-H]-	193.09825	145.3
[M+Na-2H]-	215.08020	147.7
[M]+	194.10498	144.0
[M]-	194.10608	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe