CID 115015855

6-(pyrrolidin-3-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride

Structural Information

Molecular Formula
C8H11N3O2
SMILES
C1CNCC1C2=CC(=O)NC(=O)N2
InChI
InChI=1S/C8H11N3O2/c12-7-3-6(10-8(13)11-7)5-1-2-9-4-5/h3,5,9H,1-2,4H2,(H2,10,11,12,13)
InChIKey
PWENXXBVISENCC-UHFFFAOYSA-N
Compound name
6-pyrrolidin-3-yl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.08513 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.092406 138.1
[M+Na]+ 204.074348 146.2
[M-H]- 180.077854 137.1
[M+NH4]+ 199.118953 153.6
[M+K]+ 220.048288 141.1
[M+H-H2O]+ 164.082390 130.4
[M+HCOO]- 226.083331 154.6
[M+CH3COO]- 240.098981 149.2
[M+Na-2H]- 202.059796 141.6
[M]+ 181.08458142 131.2
[M]- 181.08567858 131.2
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.