CID 99727760

6-[(3r)-3-aminopyrrolidin-1-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride

Structural Information

Molecular Formula
C8H12N4O2
SMILES
C1CN(C[C@@H]1N)C2=CC(=O)NC(=O)N2
InChI
InChI=1S/C8H12N4O2/c9-5-1-2-12(4-5)6-3-7(13)11-8(14)10-6/h3,5H,1-2,4,9H2,(H2,10,11,13,14)/t5-/m1/s1
InChIKey
XQGYDRRXRJAONJ-RXMQYKEDSA-N
Compound name
6-[(3R)-3-aminopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.09602 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.103296 141.4
[M+Na]+ 219.085238 150.0
[M-H]- 195.088744 141.7
[M+NH4]+ 214.129843 156.7
[M+K]+ 235.059178 145.3
[M+H-H2O]+ 179.093280 133.4
[M+HCOO]- 241.094221 159.9
[M+CH3COO]- 255.109871 178.4
[M+Na-2H]- 217.070686 144.2
[M]+ 196.09547142 135.1
[M]- 196.09656858 135.1
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.