CID 514812

90301-60-3

Structural Information

Molecular Formula
C11H16N2O6
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CCO)CO)O
InChI
InChI=1S/C11H16N2O6/c14-2-1-6-4-13(11(18)12-10(6)17)9-3-7(16)8(5-15)19-9/h4,7-9,14-16H,1-3,5H2,(H,12,17,18)/t7-,8+,9+/m0/s1
InChIKey
SORQWSCHVYGEPE-DJLDLDEBSA-N
Compound name
5-(2-hydroxyethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

272.10083 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10811 157.9
[M+Na]+ 295.09005 166.2
[M-H]- 271.09355 158.2
[M+NH4]+ 290.13465 169.5
[M+K]+ 311.06399 163.1
[M+H-H2O]+ 255.09809 151.0
[M+HCOO]- 317.09903 172.9
[M+CH3COO]- 331.11468 187.4
[M+Na-2H]- 293.07550 158.5
[M]+ 272.10028 157.3
[M]- 272.10138 157.3
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.