CID 135468271

68571-74-4

Structural Information

Molecular Formula

C₆H₅N₃O₂

SMILES

CC1=NOC2=C1C(=O)NC=N2

InChI

InChI=1S/C6H5N3O2/c1-3-4-5(10)7-2-8-6(4)11-9-3/h2H,1H3,(H,7,8,10)

InChIKey

KEKKJTWWTYIYGB-UHFFFAOYSA-N

Compound name

3-methyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 151.03818 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]+	152.04546	125.6
[M+Na]+	174.02740	140.1
[M+NH4]+	169.07200	133.0
[M+K]+	190.00134	137.0
[M-H]-	150.03090	126.6
[M+Na-2H]-	172.01285	131.6
[M]+	151.03763	127.8
[M]-	151.03873	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe