CID 17959854

1-(pyrimidin-4-yl)piperidin-4-ol

Structural Information

Molecular Formula
C9H13N3O
SMILES
C1CN(CCC1O)C2=NC=NC=C2
InChI
InChI=1S/C9H13N3O/c13-8-2-5-12(6-3-8)9-1-4-10-7-11-9/h1,4,7-8,13H,2-3,5-6H2
InChIKey
MPGNGESAFITLSU-UHFFFAOYSA-N
Compound name
1-pyrimidin-4-ylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

179.10587 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11315 140.0
[M+Na]+ 202.09509 146.2
[M-H]- 178.09859 140.5
[M+NH4]+ 197.13969 154.8
[M+K]+ 218.06903 143.1
[M+H-H2O]+ 162.10313 130.9
[M+HCOO]- 224.10407 156.4
[M+CH3COO]- 238.11972 150.9
[M+Na-2H]- 200.08054 146.5
[M]+ 179.10532 134.4
[M]- 179.10642 134.4
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

patents stripe