CID 252221

1-(2-hydroxyethyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C8H9N3O3
SMILES
CC1=C(C(=O)NC(=O)N1CCO)C#N
InChI
InChI=1S/C8H9N3O3/c1-5-6(4-9)7(13)10-8(14)11(5)2-3-12/h12H,2-3H2,1H3,(H,10,13,14)
InChIKey
MLWHLVRGPVKTEC-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-6-methyl-2,4-dioxopyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.06439 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.071666 137.6
[M+Na]+ 218.053608 149.4
[M-H]- 194.057114 136.6
[M+NH4]+ 213.098213 151.8
[M+K]+ 234.027548 146.4
[M+H-H2O]+ 178.061650 124.6
[M+HCOO]- 240.062591 154.3
[M+CH3COO]- 254.078241 191.7
[M+Na-2H]- 216.039056 142.0
[M]+ 195.06384142 133.3
[M]- 195.06493858 133.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.