CID 77143

3590-52-1

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₃

SMILES

C1=CC(=CC=C1N=O)N(CCO)CCO

InChI

InChI=1S/C10H14N2O3/c13-7-5-12(6-8-14)10-3-1-9(11-15)2-4-10/h1-4,13-14H,5-8H2

InChIKey

RLEHYCNEHWSDLS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 277
Patents: 210.10045 Da
Monoisotopic Mass: 0.0
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]+	211.10773	145.7
[M+Na]+	233.08967	155.5
[M+NH4]+	228.13427	152.5
[M+K]+	249.06361	150.5
[M-H]-	209.09317	147.5
[M+Na-2H]-	231.07512	151.4
[M]+	210.09990	147.2
[M]-	210.10100	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe