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]+ 196.108046 145.2
[M+Na]+ 218.089988 150.9
[M-H]- 194.093494 145.5
[M+NH4]+ 213.134593 159.3
[M+K]+ 234.063928 147.7
[M+H-H2O]+ 178.098030 136.3
[M+HCOO]- 240.098971 159.2
[M+CH3COO]- 254.114621 178.6
[M+Na-2H]- 216.075436 148.8
[M]+ 195.10022142 137.2
[M]- 195.10131858 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.