CID 5275236

2(1h)-pyrimidinone, 6-amino-1-(hexahydropyrrolo[1,2-b]isoxazol-2-yl)-

Structural Information

Molecular Formula
C10H14N4O2
SMILES
C1CC2CC(ON2C1)N3C(=CC=NC3=O)N
InChI
InChI=1S/C10H14N4O2/c11-8-3-4-12-10(15)14(8)9-6-7-2-1-5-13(7)16-9/h3-4,7,9H,1-2,5-6,11H2
InChIKey
OLELUXOGWNGBFR-UHFFFAOYSA-N
Compound name
1-(2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl)-6-aminopyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.11168 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11896 147.1
[M+Na]+ 245.10090 155.7
[M-H]- 221.10440 151.4
[M+NH4]+ 240.14550 164.1
[M+K]+ 261.07484 153.7
[M+H-H2O]+ 205.10894 139.1
[M+HCOO]- 267.10988 166.0
[M+CH3COO]- 281.12553 159.3
[M+Na-2H]- 243.08635 149.5
[M]+ 222.11113 144.8
[M]- 222.11223 144.8
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.