CID 220557

Dimethyl[2-(4-nitrophenyl)ethyl]amine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CN(C)CCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

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

InChIKey

QRJSXWJAUQIENU-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-(4-nitrophenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 194.10553 Da
Monoisotopic Mass: 2.2
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	141.7
[M+Na]+	217.094748	147.8
[M-H]-	193.098254	146.7
[M+NH4]+	212.139353	160.8
[M+K]+	233.068688	143.3
[M+H-H2O]+	177.102790	139.8
[M+HCOO]-	239.103731	168.7
[M+CH3COO]-	253.119381	185.2
[M+Na-2H]-	215.080196	148.9
[M]+	194.10498142	141.8
[M]-	194.10607858	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe