CID 22309476

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

Structural Information

Molecular Formula
C9H12ClN3O
SMILES
C1CC(CN(C1)C2=NC(=NC=C2)Cl)O
InChI
InChI=1S/C9H12ClN3O/c10-9-11-4-3-8(12-9)13-5-1-2-7(14)6-13/h3-4,7,14H,1-2,5-6H2
InChIKey
OZTKPDVMLVHPOB-UHFFFAOYSA-N
Compound name
1-(2-chloropyrimidin-4-yl)piperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

213.0669 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.07418 144.8
[M+Na]+ 236.05612 158.9
[M+NH4]+ 231.10072 152.9
[M+K]+ 252.03006 152.0
[M-H]- 212.05962 147.1
[M+Na-2H]- 234.04157 152.3
[M]+ 213.06635 147.6
[M]- 213.06745 147.6
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