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

2
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

literature stripe

Patent stripe

patents stripe