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 137.6
[M+Na]+ 200.04305 155.0
[M-H]- 176.04655 142.6
[M+NH4]+ 195.08765 150.2
[M+K]+ 216.01699 147.3
[M+H-H2O]+ 160.05109 126.4
[M+HCOO]- 222.05203 157.5
[M+CH3COO]- 236.06768 192.4
[M+Na-2H]- 198.02850 144.5
[M]+ 177.05328 136.2
[M]- 177.05438 136.2
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.