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

31
Patents

197.07198 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07926 141.7
[M+Na]+ 220.06120 148.9
[M-H]- 196.06470 143.1
[M+NH4]+ 215.10580 157.2
[M+K]+ 236.03514 144.7
[M+H-H2O]+ 180.06924 132.6
[M+HCOO]- 242.07018 154.5
[M+CH3COO]- 256.08583 152.9
[M+Na-2H]- 218.04665 148.1
[M]+ 197.07143 138.3
[M]- 197.07253 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