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]+ 209.092076 142.1
[M+Na]+ 231.074018 151.1
[M-H]- 207.077524 144.3
[M+NH4]+ 226.118623 161.1
[M+K]+ 247.047958 148.5
[M+H-H2O]+ 191.082060 136.5
[M+HCOO]- 253.083001 159.0
[M+CH3COO]- 267.098651 154.6
[M+Na-2H]- 229.059466 145.6
[M]+ 208.08425142 140.8
[M]- 208.08534858 140.8
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.