CID 6482244

102935-28-4

Structural Information

Molecular Formula
C11H14N2O5
SMILES
CC(=O)OC[C@@H]1CC[C@@H](O1)N2C=CC(=O)NC2=O
InChI
InChI=1S/C11H14N2O5/c1-7(14)17-6-8-2-3-10(18-8)13-5-4-9(15)12-11(13)16/h4-5,8,10H,2-3,6H2,1H3,(H,12,15,16)/t8-,10+/m0/s1
InChIKey
LZFFPEHRPAJQHK-WCBMZHEXSA-N
Compound name
[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

254.09027 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09755 152.3
[M+Na]+ 277.07949 160.6
[M-H]- 253.08299 156.1
[M+NH4]+ 272.12409 166.3
[M+K]+ 293.05343 159.3
[M+H-H2O]+ 237.08753 144.7
[M+HCOO]- 299.08847 171.1
[M+CH3COO]- 313.10412 188.6
[M+Na-2H]- 275.06494 154.5
[M]+ 254.08972 153.6
[M]- 254.09082 153.6
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

No patent data available for this compound.