CID 2779160

1-cyclopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C8H7N3O2
SMILES
C1CC1N2C=C(C(=O)NC2=O)C#N
InChI
InChI=1S/C8H7N3O2/c9-3-5-4-11(6-1-2-6)8(13)10-7(5)12/h4,6H,1-2H2,(H,10,12,13)
InChIKey
JYEPSAYHKIJMKT-UHFFFAOYSA-N
Compound name
1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.05383 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06111 139.7
[M+Na]+ 200.04305 153.3
[M+NH4]+ 195.08765 143.8
[M+K]+ 216.01699 146.4
[M-H]- 176.04655 140.0
[M+Na-2H]- 198.02850 145.7
[M]+ 177.05328 141.8
[M]- 177.05438 141.8
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.