CID 5479190

Secoddt

Structural Information

Molecular Formula
C10H16N2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@@H](C)O[C@H](C)CO
InChI
InChI=1S/C10H16N2O4/c1-6-4-12(10(15)11-9(6)14)8(3)16-7(2)5-13/h4,7-8,13H,5H2,1-3H3,(H,11,14,15)/t7-,8-/m1/s1
InChIKey
AWTAFQQSTHFDMU-HTQZYQBOSA-N
Compound name
1-[(1R)-1-[(2R)-1-hydroxypropan-2-yl]oxyethyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.11101 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.118286 148.1
[M+Na]+ 251.100228 156.8
[M-H]- 227.103734 147.0
[M+NH4]+ 246.144833 162.5
[M+K]+ 267.074168 154.5
[M+H-H2O]+ 211.108270 141.2
[M+HCOO]- 273.109211 165.9
[M+CH3COO]- 287.124861 186.7
[M+Na-2H]- 249.085676 150.3
[M]+ 228.11046142 149.9
[M]- 228.11155858 149.9
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.