CID 5276912

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

Structural Information

Molecular Formula
C10H14N2O4
SMILES
CC1=CN(C(=O)NC1=O)CC=C(CO)CO
InChI
InChI=1S/C10H14N2O4/c1-7-4-12(10(16)11-9(7)15)3-2-8(5-13)6-14/h2,4,13-14H,3,5-6H2,1H3,(H,11,15,16)
InChIKey
PMDGWAFBMSTWCR-UHFFFAOYSA-N
Compound name
1-[4-hydroxy-3-(hydroxymethyl)but-2-enyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

226.09535 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10263 148.3
[M+Na]+ 249.08457 157.2
[M-H]- 225.08807 145.8
[M+NH4]+ 244.12917 162.1
[M+K]+ 265.05851 152.9
[M+H-H2O]+ 209.09261 141.6
[M+HCOO]- 271.09355 165.7
[M+CH3COO]- 285.10920 182.0
[M+Na-2H]- 247.07002 151.1
[M]+ 226.09480 148.0
[M]- 226.09590 148.0
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.