CID 97005

25948-12-3

Structural Information

Molecular Formula

C₇H₉N₃O₃

SMILES

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

InChI

InChI=1S/C7H9N3O3/c11-4-3-8-7-2-1-6(5-9-7)10(12)13/h1-2,5,11H,3-4H2,(H,8,9)

InChIKey

STGZMDMCSWZWHU-UHFFFAOYSA-N

Compound name

2-[(5-nitropyridin-2-yl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 42
Patents: 183.06439 Da
Monoisotopic Mass: 0.3
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]+	184.07167	134.4
[M+Na]+	206.05361	146.1
[M+NH4]+	201.09821	141.4
[M+K]+	222.02755	143.8
[M-H]-	182.05711	136.6
[M+Na-2H]-	204.03906	140.4
[M]+	183.06384	136.3
[M]-	183.06494	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe