CID 467919

Nsc696238

Structural Information

Molecular Formula
C11H16N2O6
SMILES
COC(C1[C@@H](C(CO1)N2C=CC(=O)NC2=O)O)OC
InChI
InChI=1S/C11H16N2O6/c1-17-10(18-2)9-8(15)6(5-19-9)13-4-3-7(14)12-11(13)16/h3-4,6,8-10,15H,5H2,1-2H3,(H,12,14,16)/t6?,8-,9?/m1/s1
InChIKey
HTHBYSBMHGTQIY-GGZGLXLBSA-N
Compound name
1-[(4R)-5-(dimethoxymethyl)-4-hydroxyoxolan-3-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.10083 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10811 156.0
[M+Na]+ 295.09005 164.1
[M-H]- 271.09355 158.8
[M+NH4]+ 290.13465 168.7
[M+K]+ 311.06399 163.2
[M+H-H2O]+ 255.09809 148.6
[M+HCOO]- 317.09903 173.2
[M+CH3COO]- 331.11468 191.3
[M+Na-2H]- 293.07550 157.2
[M]+ 272.10028 158.1
[M]- 272.10138 158.1
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.