CID 85663613

144587-71-3

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₄

SMILES

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

InChI

InChI=1S/C10H14N2O4/c11-5-6-15-7-8-16-10-4-2-1-3-9(10)12(13)14/h1-4H,5-8,11H2

InChIKey

VXFCLRSMUZPEJO-UHFFFAOYSA-N

Compound name

2-[2-(2-nitrophenoxy)ethoxy]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 226.09535 Da
Monoisotopic Mass: 0.6
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]+	227.10263	147.7
[M+Na]+	249.08457	153.2
[M-H]-	225.08807	150.6
[M+NH4]+	244.12917	164.3
[M+K]+	265.05851	147.9
[M+H-H2O]+	209.09261	145.3
[M+HCOO]-	271.09355	173.9
[M+CH3COO]-	285.10920	185.0
[M+Na-2H]-	247.07002	154.9
[M]+	226.09480	148.2
[M]-	226.09590	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe