CID 5276911

1-[(e)-4-hydroxy-3-methyl-but-2-enyl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H14N2O3
SMILES
CC1=CN(C(=O)NC1=O)C/C=C(\C)/CO
InChI
InChI=1S/C10H14N2O3/c1-7(6-13)3-4-12-5-8(2)9(14)11-10(12)15/h3,5,13H,4,6H2,1-2H3,(H,11,14,15)/b7-3+
InChIKey
NWCCAORJZGDKNZ-XVNBXDOJSA-N
Compound name
1-[(E)-4-hydroxy-3-methylbut-2-enyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

210.10045 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.10773 144.6
[M+Na]+ 233.08967 154.1
[M-H]- 209.09317 143.5
[M+NH4]+ 228.13427 160.0
[M+K]+ 249.06361 150.1
[M+H-H2O]+ 193.09771 138.0
[M+HCOO]- 255.09865 163.4
[M+CH3COO]- 269.11430 182.1
[M+Na-2H]- 231.07512 147.9
[M]+ 210.09990 144.8
[M]- 210.10100 144.8
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.