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]+ 232.16959 158.2
[M+Na]+ 254.15153 162.3
[M-H]- 230.15503 158.8
[M+NH4]+ 249.19613 174.7
[M+K]+ 270.12547 157.8
[M+H-H2O]+ 214.15957 150.9
[M+HCOO]- 276.16051 176.7
[M+CH3COO]- 290.17616 189.5
[M+Na-2H]- 252.13698 160.1
[M]+ 231.16176 155.7
[M]- 231.16286 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.