CID 2799900

Oxazolo[4,5-b]pyridin-2(3h)-one

Structural Information

Molecular Formula

C₆H₄N₂O₂

SMILES

C1=CC2=C(NC(=O)O2)N=C1

InChI

InChI=1S/C6H4N2O2/c9-6-8-5-4(10-6)2-1-3-7-5/h1-3H,(H,7,8,9)

InChIKey

OVLXOTUWFLHWQT-UHFFFAOYSA-N

Compound name

3H-[1,3]oxazolo[4,5-b]pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 539
Patents: 136.02728 Da
Monoisotopic Mass: 0.4
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]+	137.03456	119.3
[M+Na]+	159.01650	131.4
[M-H]-	135.02000	121.6
[M+NH4]+	154.06110	139.6
[M+K]+	174.99044	129.6
[M+H-H2O]+	119.02454	113.2
[M+HCOO]-	181.02548	142.6
[M+CH3COO]-	195.04113	134.7
[M+Na-2H]-	157.00195	130.3
[M]+	136.02673	121.5
[M]-	136.02783	121.5

Literature stripe

literature stripe

Patent stripe

patents stripe