CID 78637

4926-55-0

Structural Information

Molecular Formula

C₈H₁₀N₂O₃

SMILES

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

InChI

InChI=1S/C8H10N2O3/c11-6-5-9-7-3-1-2-4-8(7)10(12)13/h1-4,9,11H,5-6H2

InChIKey

LFOUYKNCQNVIGI-UHFFFAOYSA-N

Compound name

2-(2-nitroanilino)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3212
Patents: 182.06914 Da
Monoisotopic Mass: 1.5
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]+	183.07642	135.3
[M+Na]+	205.05836	147.2
[M+NH4]+	200.10296	143.1
[M+K]+	221.03230	144.2
[M-H]-	181.06186	138.4
[M+Na-2H]-	203.04381	141.5
[M]+	182.06859	137.6
[M]-	182.06969	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe