CID 68263270

Oxazolo[5,4-c]pyridin-2(1h)-one

Structural Information

Molecular Formula

C₆H₄N₂O₂

SMILES

C1=CN=CC2=C1NC(=O)O2

InChI

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

InChIKey

YKGGWPMONQFUPR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 136.02728 Da
Monoisotopic Mass: 0.1
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]+	137.034556	119.3
[M+Na]+	159.016498	131.4
[M-H]-	135.020004	121.6
[M+NH4]+	154.061103	139.6
[M+K]+	174.990438	129.6
[M+H-H2O]+	119.024540	113.2
[M+HCOO]-	181.025481	142.6
[M+CH3COO]-	195.041131	134.7
[M+Na-2H]-	157.001946	130.3
[M]+	136.02673142	121.5
[M]-	136.02782858	121.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe