CID 3045889

61280-19-1

Structural Information

Molecular Formula
C9H13N3O2
SMILES
C1CCN(CC1)C2=NC(=O)CC(=O)N2
InChI
InChI=1S/C9H13N3O2/c13-7-6-8(14)11-9(10-7)12-4-2-1-3-5-12/h1-6H2,(H,10,11,13,14)
InChIKey
YMIMSTFOLJPCFD-UHFFFAOYSA-N
Compound name
2-piperidin-1-yl-1H-pyrimidine-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10077 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 145.2
[M+Na]+ 218.08999 150.9
[M-H]- 194.09349 145.5
[M+NH4]+ 213.13459 159.3
[M+K]+ 234.06393 147.7
[M+H-H2O]+ 178.09803 136.3
[M+HCOO]- 240.09897 159.2
[M+CH3COO]- 254.11462 178.6
[M+Na-2H]- 216.07544 148.8
[M]+ 195.10022 137.2
[M]- 195.10132 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.