CID 135468271

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

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

18
Patents

151.03818 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.04546 124.8
[M+Na]+ 174.02740 137.9
[M-H]- 150.03090 126.1
[M+NH4]+ 169.07200 143.4
[M+K]+ 190.00134 135.8
[M+H-H2O]+ 134.03544 118.1
[M+HCOO]- 196.03638 146.7
[M+CH3COO]- 210.05203 139.7
[M+Na-2H]- 172.01285 134.7
[M]+ 151.03763 127.9
[M]- 151.03873 127.9
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