CID 3078157

Piperazine, 1-(6-hexyl-2-pyridinyl)-

Structural Information

Molecular Formula
C15H25N3
SMILES
CCCCCCC1=NC(=CC=C1)N2CCNCC2
InChI
InChI=1S/C15H25N3/c1-2-3-4-5-7-14-8-6-9-15(17-14)18-12-10-16-11-13-18/h6,8-9,16H,2-5,7,10-13H2,1H3
InChIKey
JHZPBMMAYNSZEG-UHFFFAOYSA-N
Compound name
1-(6-hexyl-2-pyridinyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

247.20485 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.212126 163.2
[M+Na]+ 270.194068 166.8
[M-H]- 246.197574 162.6
[M+NH4]+ 265.238673 175.3
[M+K]+ 286.168008 161.8
[M+H-H2O]+ 230.202110 153.1
[M+HCOO]- 292.203051 177.3
[M+CH3COO]- 306.218701 192.7
[M+Na-2H]- 268.179516 166.5
[M]+ 247.20430142 158.3
[M]- 247.20539858 158.3
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

No patent data available for this compound.