CID 65159

5974-93-6

Structural Information

Molecular Formula
C9H10N2O4
SMILES
C1=C[C@@H](O[C@@H]1CO)N2C=CC(=O)NC2=O
InChI
InChI=1S/C9H10N2O4/c12-5-6-1-2-8(15-6)11-4-3-7(13)10-9(11)14/h1-4,6,8,12H,5H2,(H,10,13,14)/t6-,8+/m0/s1
InChIKey
NZXWQUCGACTHLK-POYBYMJQSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

82
Patents

210.06406 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07134 140.7
[M+Na]+ 233.05328 150.6
[M-H]- 209.05678 143.7
[M+NH4]+ 228.09788 156.0
[M+K]+ 249.02722 148.0
[M+H-H2O]+ 193.06132 133.6
[M+HCOO]- 255.06226 160.6
[M+CH3COO]- 269.07791 178.0
[M+Na-2H]- 231.03873 145.4
[M]+ 210.06351 140.8
[M]- 210.06461 140.8
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