CID 484356

1-(4-hydroxymethyl-2,5-dihydro-furan-2-yl)-5-methyl-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H12N2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C(CO2)CO
InChI
InChI=1S/C10H12N2O4/c1-6-3-12(10(15)11-9(6)14)8-2-7(4-13)5-16-8/h2-3,8,13H,4-5H2,1H3,(H,11,14,15)/t8-/m1/s1
InChIKey
IHXUUDGAQRWVGF-MRVPVSSYSA-N
Compound name
1-[(2R)-4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

224.07971 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.086986 145.3
[M+Na]+ 247.068928 155.7
[M-H]- 223.072434 148.6
[M+NH4]+ 242.113533 160.4
[M+K]+ 263.042868 153.0
[M+H-H2O]+ 207.076970 138.4
[M+HCOO]- 269.077911 165.0
[M+CH3COO]- 283.093561 182.3
[M+Na-2H]- 245.054376 148.9
[M]+ 224.07916142 146.2
[M]- 224.08025858 146.2
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.