CID 446312

8-methyl-9-oxoguanine

Structural Information

Molecular Formula

C₆H₆N₄O₂

SMILES

CC1=NC2=C(O1)N=C(NC2=O)N

InChI

InChI=1S/C6H6N4O2/c1-2-8-3-4(11)9-6(7)10-5(3)12-2/h1H3,(H3,7,9,10,11)

InChIKey

NEKSCFHMQPOHBF-UHFFFAOYSA-N

Compound name

5-amino-2-methyl-6H-[1,3]oxazolo[5,4-d]pyrimidin-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 41
Patents: 166.04907 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]+	167.056346	130.2
[M+Na]+	189.038288	143.2
[M-H]-	165.041794	131.4
[M+NH4]+	184.082893	147.9
[M+K]+	205.012228	140.6
[M+H-H2O]+	149.046330	123.3
[M+HCOO]-	211.047271	152.5
[M+CH3COO]-	225.062921	144.5
[M+Na-2H]-	187.023736	138.7
[M]+	166.04852142	132.0
[M]-	166.04961858	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe