CID 12753

Pyridine-n-oxide

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C5H5NO/c7-6-4-2-1-3-5-6/h1-5H

InChIKey

ILVXOBCQQYKLDS-UHFFFAOYSA-N

Compound name

1-oxidopyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 128
References: 26831
Patents: 95.03712 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]+	96.044396	112.6
[M+Na]+	118.02634	128.3
[M+NH4]+	113.07094	122.7
[M+K]+	134.00028	123.5
[M-H]-	94.029844	116.0
[M+Na-2H]-	116.01179	121.6
[M]+	95.036571	115.9
[M]-	95.037669	115.9

Literature stripe

literature stripe

Patent stripe

patents stripe