CID 147315

29705-39-3

Structural Information

Molecular Formula

C₁₀H₁₅N₃O₄

SMILES

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

InChI

InChI=1S/C10H15N3O4/c11-9-2-1-8(7-10(9)13(16)17)12(3-5-14)4-6-15/h1-2,7,14-15H,3-6,11H2

InChIKey

VOLCMGPDRGNUGR-UHFFFAOYSA-N

Compound name

2-[4-amino-N-(2-hydroxyethyl)-3-nitroanilino]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2930
Patents: 241.10626 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]+	242.11354	150.8
[M+Na]+	264.09548	160.1
[M+NH4]+	259.14008	156.8
[M+K]+	280.06942	159.0
[M-H]-	240.09898	153.2
[M+Na-2H]-	262.08093	154.6
[M]+	241.10571	152.3
[M]-	241.10681	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe