CID 66520509

1-(2-aminopyrimidin-4-yl)piperidin-3-ol

Structural Information

Molecular Formula
C9H14N4O
SMILES
C1CC(CN(C1)C2=NC(=NC=C2)N)O
InChI
InChI=1S/C9H14N4O/c10-9-11-4-3-8(12-9)13-5-1-2-7(14)6-13/h3-4,7,14H,1-2,5-6H2,(H2,10,11,12)
InChIKey
PUMDSLSEDRYTOC-UHFFFAOYSA-N
Compound name
1-(2-aminopyrimidin-4-yl)piperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

194.11676 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.124036 144.3
[M+Na]+ 217.105978 150.7
[M-H]- 193.109484 144.8
[M+NH4]+ 212.150583 158.3
[M+K]+ 233.079918 147.1
[M+H-H2O]+ 177.114020 135.3
[M+HCOO]- 239.114961 161.2
[M+CH3COO]- 253.130611 154.8
[M+Na-2H]- 215.091426 149.6
[M]+ 194.11621142 137.6
[M]- 194.11730858 137.6
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

patents stripe