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

11
Patents

213.0669 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.074176 145.3
[M+Na]+ 236.056118 153.1
[M-H]- 212.059624 145.9
[M+NH4]+ 231.100723 159.8
[M+K]+ 252.030058 148.4
[M+H-H2O]+ 196.064160 136.7
[M+HCOO]- 258.065101 156.9
[M+CH3COO]- 272.080751 156.1
[M+Na-2H]- 234.041566 150.5
[M]+ 213.06635142 142.0
[M]- 213.06744858 142.0
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