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]+ 181.108376 138.0
[M+Na]+ 203.090318 145.9
[M-H]- 179.093824 139.2
[M+NH4]+ 198.134923 154.4
[M+K]+ 219.064258 142.2
[M+H-H2O]+ 163.098360 129.5
[M+HCOO]- 225.099301 157.6
[M+CH3COO]- 239.114951 149.8
[M+Na-2H]- 201.075766 142.0
[M]+ 180.10055142 132.4
[M]- 180.10164858 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.