CID 10221080

206055-67-6

Structural Information

Molecular Formula
C11H14N2O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)CO)O
InChI
InChI=1S/C11H14N2O6/c1-5-2-13(10(17)12-8(5)16)9-6-7(15)11(3-14,19-9)4-18-6/h2,6-7,9,14-15H,3-4H2,1H3,(H,12,16,17)/t6-,7+,9-,11+/m1/s1
InChIKey
TYYUAZVXLRMUMN-SZVQBCOZSA-N
Compound name
1-[(1S,3R,4R,7S)-7-hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

270.08517 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.092446 153.8
[M+Na]+ 293.074388 164.4
[M-H]- 269.077894 156.2
[M+NH4]+ 288.118993 170.5
[M+K]+ 309.048328 162.9
[M+H-H2O]+ 253.082430 149.6
[M+HCOO]- 315.083371 168.4
[M+CH3COO]- 329.099021 189.0
[M+Na-2H]- 291.059836 157.6
[M]+ 270.08462142 156.6
[M]- 270.08571858 156.6
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

patents stripe