CID 473651

1-[4,5-bis(hydroxymethyl)tetrahydropyran-2-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H16N2O5
SMILES
C1C(C(COC1N2C=CC(=O)NC2=O)CO)CO
InChI
InChI=1S/C11H16N2O5/c14-4-7-3-10(18-6-8(7)5-15)13-2-1-9(16)12-11(13)17/h1-2,7-8,10,14-15H,3-6H2,(H,12,16,17)
InChIKey
OCFJGWXZJWXAJA-UHFFFAOYSA-N
Compound name
1-[4,5-bis(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.10593 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11321 156.1
[M+Na]+ 279.09515 163.5
[M-H]- 255.09865 156.9
[M+NH4]+ 274.13975 166.9
[M+K]+ 295.06909 160.5
[M+H-H2O]+ 239.10319 148.0
[M+HCOO]- 301.10413 170.3
[M+CH3COO]- 315.11978 186.5
[M+Na-2H]- 277.08060 159.2
[M]+ 256.10538 153.3
[M]- 256.10648 153.3
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.