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]+ 197.10330 141.4
[M+Na]+ 219.08524 150.0
[M-H]- 195.08874 141.7
[M+NH4]+ 214.12984 156.7
[M+K]+ 235.05918 145.3
[M+H-H2O]+ 179.09328 133.4
[M+HCOO]- 241.09422 159.9
[M+CH3COO]- 255.10987 178.4
[M+Na-2H]- 217.07069 144.2
[M]+ 196.09547 135.1
[M]- 196.09657 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.