CID 500130

Nsc653487

Structural Information

Molecular Formula
C9H12N2O5
SMILES
C1[C@H](O[C@H](O1)CN2C=CC(=O)NC2=O)CO
InChI
InChI=1S/C9H12N2O5/c12-4-6-5-15-8(16-6)3-11-2-1-7(13)10-9(11)14/h1-2,6,8,12H,3-5H2,(H,10,13,14)/t6-,8+/m1/s1
InChIKey
JCIHSXGVPHRWNI-SVRRBLITSA-N
Compound name
1-[[(2S,4R)-4-(hydroxymethyl)-1,3-dioxolan-2-yl]methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.07462 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08190 145.7
[M+Na]+ 251.06384 154.5
[M-H]- 227.06734 148.9
[M+NH4]+ 246.10844 158.8
[M+K]+ 267.03778 153.5
[M+H-H2O]+ 211.07188 138.5
[M+HCOO]- 273.07282 163.4
[M+CH3COO]- 287.08847 181.1
[M+Na-2H]- 249.04929 150.1
[M]+ 228.07407 146.4
[M]- 228.07517 146.4
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.