CID 5276909

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

Structural Information

Molecular Formula
C9H11IN2O3
SMILES
C/C(=C\CN1C=C(C(=O)NC1=O)I)/CO
InChI
InChI=1S/C9H11IN2O3/c1-6(5-13)2-3-12-4-7(10)8(14)11-9(12)15/h2,4,13H,3,5H2,1H3,(H,11,14,15)/b6-2+
InChIKey
CVWBGVPIOBBDNS-QHHAFSJGSA-N
Compound name
1-[(E)-4-hydroxy-3-methylbut-2-enyl]-5-iodopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.98145 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.98873 152.9
[M+Na]+ 344.97067 155.2
[M-H]- 320.97417 145.0
[M+NH4]+ 340.01527 163.2
[M+K]+ 360.94461 157.2
[M+H-H2O]+ 304.97871 142.6
[M+HCOO]- 366.97965 166.8
[M+CH3COO]- 380.99530 190.4
[M+Na-2H]- 342.95612 144.3
[M]+ 321.98090 150.2
[M]- 321.98200 150.2
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.