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

14
Patents

151.03818 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.045456 124.8
[M+Na]+ 174.027398 137.9
[M-H]- 150.030904 126.1
[M+NH4]+ 169.072003 143.4
[M+K]+ 190.001338 135.8
[M+H-H2O]+ 134.035440 118.1
[M+HCOO]- 196.036381 146.7
[M+CH3COO]- 210.052031 139.7
[M+Na-2H]- 172.012846 134.7
[M]+ 151.03763142 127.9
[M]- 151.03872858 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