CID 27057

3-hydroxy-2-nitropyridine

Structural Information

Molecular Formula

C₅H₄N₂O₃

SMILES

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

InChI

InChI=1S/C5H4N2O3/c8-4-2-1-3-6-5(4)7(9)10/h1-3,8H

InChIKey

QBPDSKPWYWIHGA-UHFFFAOYSA-N

Compound name

2-nitropyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 1285
Patents: 140.02219 Da
Monoisotopic Mass: 1.2
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]+	141.029466	121.6
[M+Na]+	163.011408	130.0
[M-H]-	139.014914	123.3
[M+NH4]+	158.056013	140.5
[M+K]+	178.985348	124.8
[M+H-H2O]+	123.019450	120.4
[M+HCOO]-	185.020391	146.2
[M+CH3COO]-	199.036041	163.4
[M+Na-2H]-	160.996856	131.9
[M]+	140.02164142	119.3
[M]-	140.02273858	119.3

Literature stripe

literature stripe

Patent stripe

patents stripe