CID 76324

2-hydroxy-3,5-dinitropyridine

Structural Information

Molecular Formula

C₅H₃N₃O₅

SMILES

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

InChI

InChI=1S/C5H3N3O5/c9-5-4(8(12)13)1-3(2-6-5)7(10)11/h1-2H,(H,6,9)

InChIKey

KSZZJOXNRQKULB-UHFFFAOYSA-N

Compound name

3,5-dinitro-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 47
Patents: 185.00726 Da
Monoisotopic Mass: -0.2
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]+	186.01454	134.5
[M+Na]+	207.99648	147.5
[M+NH4]+	203.04108	140.6
[M+K]+	223.97042	148.5
[M-H]-	183.99998	136.7
[M+Na-2H]-	205.98193	139.3
[M]+	185.00671	136.5
[M]-	185.00781	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe