CID 17894842

4-(piperidin-4-yl)pyrimidine

Structural Information

Molecular Formula
C9H13N3
SMILES
C1CNCCC1C2=NC=NC=C2
InChI
InChI=1S/C9H13N3/c1-4-10-5-2-8(1)9-3-6-11-7-12-9/h3,6-8,10H,1-2,4-5H2
InChIKey
NXWUMAKDYWLFIS-UHFFFAOYSA-N
Compound name
4-piperidin-4-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

163.11095 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.118226 136.5
[M+Na]+ 186.100168 141.8
[M-H]- 162.103674 136.6
[M+NH4]+ 181.144773 151.7
[M+K]+ 202.074108 138.3
[M+H-H2O]+ 146.108210 127.4
[M+HCOO]- 208.109151 152.6
[M+CH3COO]- 222.124801 147.2
[M+Na-2H]- 184.085616 143.8
[M]+ 163.11040142 129.1
[M]- 163.11149858 129.1
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