CID 451452

5-et-ddu

Structural Information

Molecular Formula
C11H16N2O4
SMILES
CCC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO
InChI
InChI=1S/C11H16N2O4/c1-2-7-5-13(11(16)12-10(7)15)9-4-3-8(6-14)17-9/h5,8-9,14H,2-4,6H2,1H3,(H,12,15,16)/t8-,9+/m0/s1
InChIKey
MCKZMXMWYDOXBL-DTWKUNHWSA-N
Compound name
5-ethyl-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

31
Patents

240.11101 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.118286 151.5
[M+Na]+ 263.100228 160.4
[M-H]- 239.103734 154.2
[M+NH4]+ 258.144833 165.9
[M+K]+ 279.074168 157.7
[M+H-H2O]+ 223.108270 144.4
[M+HCOO]- 285.109211 169.3
[M+CH3COO]- 299.124861 185.7
[M+Na-2H]- 261.085676 153.5
[M]+ 240.11046142 151.3
[M]- 240.11155858 151.3
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