CID 75528922

Ns00097087

Structural Information

Molecular Formula
C21H35NO
SMILES
CCCCCC/C=C\CCC/C=C/C=C/C(=O)N1CCCCC1
InChI
InChI=1S/C21H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21(23)22-19-16-14-17-20-22/h7-8,12-13,15,18H,2-6,9-11,14,16-17,19-20H2,1H3/b8-7-,13-12+,18-15+
InChIKey
OVIAKACTZLFBOR-CCUQQVLRSA-N
Compound name
(2E,4E,9Z)-1-piperidin-1-ylhexadeca-2,4,9-trien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.27185 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.279126 186.6
[M+Na]+ 340.261068 187.0
[M-H]- 316.264574 185.5
[M+NH4]+ 335.305673 199.4
[M+K]+ 356.235008 181.2
[M+H-H2O]+ 300.269110 178.0
[M+HCOO]- 362.270051 201.5
[M+CH3COO]- 376.285701 208.1
[M+Na-2H]- 338.246516 184.2
[M]+ 317.27130142 184.8
[M]- 317.27239858 184.8
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

No patent data available for this compound.