CID 6446865

1-farnesylpiperidine

Structural Information

Molecular Formula
C20H35N
SMILES
CC(=CCC/C(=C/CC/C(=C/CN1CCCCC1)/C)/C)C
InChI
InChI=1S/C20H35N/c1-18(2)10-8-11-19(3)12-9-13-20(4)14-17-21-15-6-5-7-16-21/h10,12,14H,5-9,11,13,15-17H2,1-4H3/b19-12+,20-14+
InChIKey
QZPMEHRLRWYEEH-LCAIAVFMSA-N
Compound name
1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.27695 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.28423 180.6
[M+Na]+ 312.26617 180.6
[M-H]- 288.26967 179.8
[M+NH4]+ 307.31077 194.4
[M+K]+ 328.24011 176.1
[M+H-H2O]+ 272.27421 172.6
[M+HCOO]- 334.27515 193.4
[M+CH3COO]- 348.29080 206.2
[M+Na-2H]- 310.25162 176.2
[M]+ 289.27640 176.4
[M]- 289.27750 176.4
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.