CID 125449199

1-cyclopropyl-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C9H9N3O2
SMILES
CC1=C(C(=O)NC(=O)N1C2CC2)C#N
InChI
InChI=1S/C9H9N3O2/c1-5-7(4-10)8(13)11-9(14)12(5)6-2-3-6/h6H,2-3H2,1H3,(H,11,13,14)
InChIKey
SJOPQKKTPUJSKS-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-methyl-2,4-dioxopyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.06947 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.076746 141.1
[M+Na]+ 214.058688 158.8
[M-H]- 190.062194 146.3
[M+NH4]+ 209.103293 153.5
[M+K]+ 230.032628 151.0
[M+H-H2O]+ 174.066730 130.0
[M+HCOO]- 236.067671 160.7
[M+CH3COO]- 250.083321 196.0
[M+Na-2H]- 212.044136 147.0
[M]+ 191.06892142 140.3
[M]- 191.07001858 140.3
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.