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

43
Patents

166.04907 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05635 130.2
[M+Na]+ 189.03829 143.2
[M-H]- 165.04179 131.4
[M+NH4]+ 184.08289 147.9
[M+K]+ 205.01223 140.6
[M+H-H2O]+ 149.04633 123.3
[M+HCOO]- 211.04727 152.5
[M+CH3COO]- 225.06292 144.5
[M+Na-2H]- 187.02374 138.7
[M]+ 166.04852 132.0
[M]- 166.04962 132.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe