CID 46937430

2136571-30-5

Structural Information

Molecular Formula
C13H16N4
SMILES
C1CNCCC1C2=CC(=NN2)C3=CC=NC=C3
InChI
InChI=1S/C13H16N4/c1-5-14-6-2-10(1)12-9-13(17-16-12)11-3-7-15-8-4-11/h1-2,5-6,9,11,15H,3-4,7-8H2,(H,16,17)
InChIKey
VXNHTGWDWVCFSI-UHFFFAOYSA-N
Compound name
4-(5-piperidin-4-yl-1H-pyrazol-3-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

13
Patents

228.1375 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.144776 153.1
[M+Na]+ 251.126718 158.5
[M-H]- 227.130224 154.0
[M+NH4]+ 246.171323 165.2
[M+K]+ 267.100658 152.3
[M+H-H2O]+ 211.134760 142.4
[M+HCOO]- 273.135701 167.2
[M+CH3COO]- 287.151351 162.2
[M+Na-2H]- 249.112166 156.5
[M]+ 228.13695142 144.5
[M]- 228.13804858 144.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe