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

6
Patents

151.03818 Da
Monoisotopic Mass

0.2
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

No literature data available for this compound.

Patent stripe

patents stripe