CID 455169

1-[(2r,4s)-4-(hydroxymethyl)-4-methyl-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H16N2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@](CO2)(C)CO
InChI
InChI=1S/C11H16N2O4/c1-7-4-13(10(16)12-9(7)15)8-3-11(2,5-14)6-17-8/h4,8,14H,3,5-6H2,1-2H3,(H,12,15,16)/t8-,11+/m1/s1
InChIKey
XQOMZBRHJQPYSR-KCJUWKMLSA-N
Compound name
1-[(2R,4S)-4-(hydroxymethyl)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

240.11101 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.118286 149.7
[M+Na]+ 263.100228 159.6
[M-H]- 239.103734 152.7
[M+NH4]+ 258.144833 166.2
[M+K]+ 279.074168 157.1
[M+H-H2O]+ 223.108270 143.4
[M+HCOO]- 285.109211 167.6
[M+CH3COO]- 299.124861 185.3
[M+Na-2H]- 261.085676 153.2
[M]+ 240.11046142 149.9
[M]- 240.11155858 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

literature stripe

Patent stripe

No patent data available for this compound.