CID 196956

D4hmurd

Structural Information

Molecular Formula
C10H12N2O5
SMILES
C1=C[C@@H](O[C@@H]1CO)N2C=C(C(=O)NC2=O)CO
InChI
InChI=1S/C10H12N2O5/c13-4-6-3-12(10(16)11-9(6)15)8-2-1-7(5-14)17-8/h1-3,7-8,13-14H,4-5H2,(H,11,15,16)/t7-,8+/m0/s1
InChIKey
KFMBQLBWJUMPQJ-JGVFFNPUSA-N
Compound name
5-(hydroxymethyl)-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

240.07462 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08190 148.6
[M+Na]+ 263.06384 158.3
[M-H]- 239.06734 150.5
[M+NH4]+ 258.10844 162.2
[M+K]+ 279.03778 155.3
[M+H-H2O]+ 223.07188 141.6
[M+HCOO]- 285.07282 166.9
[M+CH3COO]- 299.08847 182.4
[M+Na-2H]- 261.04929 151.7
[M]+ 240.07407 149.1
[M]- 240.07517 149.1
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