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]+ 271.09245 155.8
[M+Na]+ 293.07439 165.2
[M+NH4]+ 288.11899 161.9
[M+K]+ 309.04833 165.3
[M-H]- 269.07789 156.0
[M+Na-2H]- 291.05984 155.9
[M]+ 270.08462 156.8
[M]- 270.08572 156.8
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