CID 13245507

32830-01-6

Structural Information

Molecular Formula
C9H11N3O4
SMILES
C1[C@@H]2[C@H]([C@H](O1)[C@@H](O2)N3C=CC(=NC3=O)N)O
InChI
InChI=1S/C9H11N3O4/c10-5-1-2-12(9(14)11-5)8-7-6(13)4(16-8)3-15-7/h1-2,4,6-8,13H,3H2,(H2,10,11,14)/t4-,6-,7+,8-/m1/s1
InChIKey
KFZNTIYBDGWGGU-CCXZUQQUSA-N
Compound name
4-amino-1-[(1R,3R,4S,7R)-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.07495 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08223 145.5
[M+Na]+ 248.06417 155.3
[M+NH4]+ 243.10877 152.0
[M+K]+ 264.03811 156.5
[M-H]- 224.06767 148.1
[M+Na-2H]- 246.04962 146.2
[M]+ 225.07440 147.2
[M]- 225.07550 147.2
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

No patent data available for this compound.