CID 5484089

24905-87-1

Structural Information

Molecular Formula

C₈H₁₁N₃O₃

SMILES

C1=CC(=C(C=C1NCCO)[N+](=O)[O-])N

InChI

InChI=1S/C8H11N3O3/c9-7-2-1-6(10-3-4-12)5-8(7)11(13)14/h1-2,5,10,12H,3-4,9H2

InChIKey

DAGCJJZWDAVKRE-UHFFFAOYSA-N

Compound name

2-(4-amino-3-nitroanilino)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2132
Patents: 197.08005 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]+	198.08733	138.7
[M+Na]+	220.06927	149.3
[M+NH4]+	215.11387	145.7
[M+K]+	236.04321	147.2
[M-H]-	196.07277	141.9
[M+Na-2H]-	218.05472	143.9
[M]+	197.07950	140.6
[M]-	197.08060	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe