CID 5745455

55609-27-3

Structural Information

Molecular Formula

C₁₀H₈N₄O₃

SMILES

C1=CC(=C(N=C1)NC2=C(C=CC=N2)O)[N+](=O)[O-]

InChI

InChI=1S/C10H8N4O3/c15-8-4-2-6-12-10(8)13-9-7(14(16)17)3-1-5-11-9/h1-6,15H,(H,11,12,13)

InChIKey

MVLWKGNAOGDLLJ-UHFFFAOYSA-N

Compound name

2-[(3-nitropyridin-2-yl)amino]pyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 232.05965 Da
Monoisotopic Mass: 2.0
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]+	233.06693	144.8
[M+Na]+	255.04887	151.8
[M-H]-	231.05237	148.2
[M+NH4]+	250.09347	157.8
[M+K]+	271.02281	144.3
[M+H-H2O]+	215.05691	140.5
[M+HCOO]-	277.05785	168.6
[M+CH3COO]-	291.07350	183.3
[M+Na-2H]-	253.03432	155.4
[M]+	232.05910	141.7
[M]-	232.06020	141.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.