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]+ 181.108376 138.6
[M+Na]+ 203.090318 146.1
[M-H]- 179.093824 138.4
[M+NH4]+ 198.134923 154.3
[M+K]+ 219.064258 141.5
[M+H-H2O]+ 163.098360 130.4
[M+HCOO]- 225.099301 156.7
[M+CH3COO]- 239.114951 149.7
[M+Na-2H]- 201.075766 142.2
[M]+ 180.10055142 131.2
[M]- 180.10164858 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.