CID 131751449

(2e,4e,6z)-2,4,6-decatrienoic acid dehydropiperidide

Structural Information

Molecular Formula
C15H21NO
SMILES
CCC/C=C/C=C\C=C\C(=O)N1CCCC=C1
InChI
InChI=1S/C15H21NO/c1-2-3-4-5-6-7-9-12-15(17)16-13-10-8-11-14-16/h4-7,9-10,12-13H,2-3,8,11,14H2,1H3/b5-4+,7-6-,12-9+
InChIKey
MYQLSFPPFMXWEZ-YXMVYKBFSA-N
Compound name
(2E,4Z,6E)-1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,6-trien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.16231 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.169586 158.2
[M+Na]+ 254.151528 162.3
[M-H]- 230.155034 158.8
[M+NH4]+ 249.196133 174.7
[M+K]+ 270.125468 157.8
[M+H-H2O]+ 214.159570 150.9
[M+HCOO]- 276.160511 176.7
[M+CH3COO]- 290.176161 189.5
[M+Na-2H]- 252.136976 160.1
[M]+ 231.16176142 155.7
[M]- 231.16285858 155.7
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.