CID 22309478

[1-(6-chloropyrimidin-4-yl)piperidin-3-yl]methanol

Structural Information

Molecular Formula
C10H14ClN3O
SMILES
C1CC(CN(C1)C2=CC(=NC=N2)Cl)CO
InChI
InChI=1S/C10H14ClN3O/c11-9-4-10(13-7-12-9)14-3-1-2-8(5-14)6-15/h4,7-8,15H,1-3,5-6H2
InChIKey
CLJDKIXEIMTDNB-UHFFFAOYSA-N
Compound name
[1-(6-chloropyrimidin-4-yl)piperidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.08253 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08981 149.7
[M+Na]+ 250.07175 157.0
[M-H]- 226.07525 150.1
[M+NH4]+ 245.11635 163.7
[M+K]+ 266.04569 152.1
[M+H-H2O]+ 210.07979 141.0
[M+HCOO]- 272.08073 161.0
[M+CH3COO]- 286.09638 160.1
[M+Na-2H]- 248.05720 154.4
[M]+ 227.08198 146.8
[M]- 227.08308 146.8
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

No patent data available for this compound.