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
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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 138.3
[M+Na]+ 203.09032 148.5
[M+NH4]+ 198.13492 144.7
[M+K]+ 219.06426 145.8
[M-H]- 179.09382 139.0
[M+Na-2H]- 201.07577 143.4
[M]+ 180.10055 139.5
[M]- 180.10165 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.