CID 281136

27433-55-2

Structural Information

Molecular Formula
C6H5N3O2
SMILES
CC1=NC2=C(O1)N=CNC2=O
InChI
InChI=1S/C6H5N3O2/c1-3-9-4-5(10)7-2-8-6(4)11-3/h2H,1H3,(H,7,8,10)
InChIKey
VHNKDSNYFRHJMK-UHFFFAOYSA-N
Compound name
2-methyl-6H-[1,3]oxazolo[5,4-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

151.03818 Da
Monoisotopic Mass

0.2
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

No literature data available for this compound.

Patent stripe

patents stripe