CID 102188176

4-amino-1-(pyrrolidin-3-yl)-1,2-dihydropyrimidin-2-one dihydrochloride

Structural Information

Molecular Formula
C8H12N4O
SMILES
C1CNCC1N2C=CC(=NC2=O)N
InChI
InChI=1S/C8H12N4O/c9-7-2-4-12(8(13)11-7)6-1-3-10-5-6/h2,4,6,10H,1,3,5H2,(H2,9,11,13)
InChIKey
KROFUXBELOGZAF-UHFFFAOYSA-N
Compound name
4-amino-1-pyrrolidin-3-ylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.1011 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.10838 138.0
[M+Na]+ 203.09032 145.9
[M-H]- 179.09382 139.2
[M+NH4]+ 198.13492 154.4
[M+K]+ 219.06426 142.2
[M+H-H2O]+ 163.09836 129.5
[M+HCOO]- 225.09930 157.6
[M+CH3COO]- 239.11495 149.8
[M+Na-2H]- 201.07577 142.0
[M]+ 180.10055 132.4
[M]- 180.10165 132.4
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.