CID 817346

4-chloro-2-(piperidin-1-yl)pyrimidine

Structural Information

Molecular Formula
C9H12ClN3
SMILES
C1CCN(CC1)C2=NC=CC(=N2)Cl
InChI
InChI=1S/C9H12ClN3/c10-8-4-5-11-9(12-8)13-6-2-1-3-7-13/h4-5H,1-3,6-7H2
InChIKey
DFNTXDDYVXGSLY-UHFFFAOYSA-N
Compound name
4-chloro-2-piperidin-1-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

197.07198 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.079256 141.7
[M+Na]+ 220.061198 148.9
[M-H]- 196.064704 143.1
[M+NH4]+ 215.105803 157.2
[M+K]+ 236.035138 144.7
[M+H-H2O]+ 180.069240 132.6
[M+HCOO]- 242.070181 154.5
[M+CH3COO]- 256.085831 152.9
[M+Na-2H]- 218.046646 148.1
[M]+ 197.07143142 138.3
[M]- 197.07252858 138.3
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