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]+ 224.10297 146.2
[M+Na]+ 246.08491 155.4
[M-H]- 222.08841 149.6
[M+NH4]+ 241.12951 163.0
[M+K]+ 262.05885 153.0
[M+H-H2O]+ 206.09295 138.8
[M+HCOO]- 268.09389 163.5
[M+CH3COO]- 282.10954 158.5
[M+Na-2H]- 244.07036 148.5
[M]+ 223.09514 144.4
[M]- 223.09624 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.