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]+ 223.118956 147.1
[M+Na]+ 245.100898 155.7
[M-H]- 221.104404 151.4
[M+NH4]+ 240.145503 164.1
[M+K]+ 261.074838 153.7
[M+H-H2O]+ 205.108940 139.1
[M+HCOO]- 267.109881 166.0
[M+CH3COO]- 281.125531 159.3
[M+Na-2H]- 243.086346 149.5
[M]+ 222.11113142 144.8
[M]- 222.11222858 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.