CID 155943609

En300-27721170

Structural Information

Molecular Formula
C10H12N2O3
SMILES
C1C[C@H]2[C@@H](C[C@@H]1O2)C3=NC(=CC(=O)N3)O
InChI
InChI=1S/C10H12N2O3/c13-8-4-9(14)12-10(11-8)6-3-5-1-2-7(6)15-5/h4-7H,1-3H2,(H2,11,12,13,14)/t5-,6-,7+/m1/s1
InChIKey
ZOSKOZKGCHVONJ-QYNIQEEDSA-N
Compound name
4-hydroxy-2-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.0848 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09208 143.0
[M+Na]+ 231.07402 153.4
[M+NH4]+ 226.11862 150.5
[M+K]+ 247.04796 152.9
[M-H]- 207.07752 144.1
[M+Na-2H]- 229.05947 144.8
[M]+ 208.08425 144.5
[M]- 208.08535 144.5
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.