CID 87515

18226-17-0

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₄

SMILES

C1=CC(=CC=C1N(CCO)CCO)[N+](=O)[O-]

InChI

InChI=1S/C10H14N2O4/c13-7-5-11(6-8-14)9-1-3-10(4-2-9)12(15)16/h1-4,13-14H,5-8H2

InChIKey

CDEQUHCAZLSDTD-UHFFFAOYSA-N

Compound name

2-[N-(2-hydroxyethyl)-4-nitroanilino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 176
Patents: 226.09535 Da
Monoisotopic Mass: 0.5
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	147.2
[M+Na]+	249.08457	152.0
[M-H]-	225.08807	149.3
[M+NH4]+	244.12917	163.3
[M+K]+	265.05851	146.7
[M+H-H2O]+	209.09261	145.2
[M+HCOO]-	271.09355	171.5
[M+CH3COO]-	285.10920	183.7
[M+Na-2H]-	247.07002	153.8
[M]+	226.09480	146.2
[M]-	226.09590	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe