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]+ 229.11829 148.1
[M+Na]+ 251.10023 156.8
[M-H]- 227.10373 147.0
[M+NH4]+ 246.14483 162.5
[M+K]+ 267.07417 154.5
[M+H-H2O]+ 211.10827 141.2
[M+HCOO]- 273.10921 165.9
[M+CH3COO]- 287.12486 186.7
[M+Na-2H]- 249.08568 150.3
[M]+ 228.11046 149.9
[M]- 228.11156 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.