CID 2817717

90873-61-3

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₃

SMILES

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

InChI

InChI=1S/C10H14N2O3/c1-2-11-7-10(13)8-3-5-9(6-4-8)12(14)15/h3-6,10-11,13H,2,7H2,1H3

InChIKey

GPYGUPLVSOWCPG-UHFFFAOYSA-N

Compound name

2-(ethylamino)-1-(4-nitrophenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 210.10045 Da
Monoisotopic Mass: -0.1
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	144.4
[M+Na]+	233.08967	149.4
[M-H]-	209.09317	146.5
[M+NH4]+	228.13427	161.3
[M+K]+	249.06361	143.5
[M+H-H2O]+	193.09771	142.7
[M+HCOO]-	255.09865	168.5
[M+CH3COO]-	269.11430	181.6
[M+Na-2H]-	231.07512	150.8
[M]+	210.09990	142.0
[M]-	210.10100	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe