CID 136551826

2-amino-6-(pyrrolidin-3-yl)pyrimidin-4-ol dihydrochloride

Structural Information

Molecular Formula
C8H12N4O
SMILES
C1CNCC1C2=CC(=O)NC(=N2)N
InChI
InChI=1S/C8H12N4O/c9-8-11-6(3-7(13)12-8)5-1-2-10-4-5/h3,5,10H,1-2,4H2,(H3,9,11,12,13)
InChIKey
ZJLFBFMXCHQCLT-UHFFFAOYSA-N
Compound name
2-amino-4-pyrrolidin-3-yl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.1011 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.10838 138.6
[M+Na]+ 203.09032 146.1
[M-H]- 179.09382 138.4
[M+NH4]+ 198.13492 154.3
[M+K]+ 219.06426 141.5
[M+H-H2O]+ 163.09836 130.4
[M+HCOO]- 225.09930 156.7
[M+CH3COO]- 239.11495 149.7
[M+Na-2H]- 201.07577 142.2
[M]+ 180.10055 131.2
[M]- 180.10165 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.