CID 5275235

2,4(1h,3h)-pyrimidinedione, 3-(hexahydropyrrolo[1,2-b]isoxazol-2-yl)-

Structural Information

Molecular Formula
C10H13N3O3
SMILES
C1CC2CC(ON2C1)N3C(=O)C=CNC3=O
InChI
InChI=1S/C10H13N3O3/c14-8-3-4-11-10(15)13(8)9-6-7-2-1-5-12(7)16-9/h3-4,7,9H,1-2,5-6H2,(H,11,15)
InChIKey
NZHZLOCYBBRVCT-UHFFFAOYSA-N
Compound name
3-(2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl)-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

223.09569 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.102966 146.2
[M+Na]+ 246.084908 155.4
[M-H]- 222.088414 149.6
[M+NH4]+ 241.129513 163.0
[M+K]+ 262.058848 153.0
[M+H-H2O]+ 206.092950 138.8
[M+HCOO]- 268.093891 163.5
[M+CH3COO]- 282.109541 158.5
[M+Na-2H]- 244.070356 148.5
[M]+ 223.09514142 144.4
[M]- 223.09623858 144.4
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

No patent data available for this compound.