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

literature stripe

Patent stripe

patents stripe