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]+ 196.07167 137.6
[M+Na]+ 218.05361 149.4
[M-H]- 194.05711 136.6
[M+NH4]+ 213.09821 151.8
[M+K]+ 234.02755 146.4
[M+H-H2O]+ 178.06165 124.6
[M+HCOO]- 240.06259 154.3
[M+CH3COO]- 254.07824 191.7
[M+Na-2H]- 216.03906 142.0
[M]+ 195.06384 133.3
[M]- 195.06494 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.