CID 131751450

2,4,6,8-decatetraenoic acid dehydropiperidide

Structural Information

Molecular Formula
C15H19NO
SMILES
C/C=C/C=C/C=C\C=C\C(=O)N1CCCC=C1
InChI
InChI=1S/C15H19NO/c1-2-3-4-5-6-7-9-12-15(17)16-13-10-8-11-14-16/h2-7,9-10,12-13H,8,11,14H2,1H3/b3-2+,5-4+,7-6-,12-9+
InChIKey
JLBTYPJRECBOEI-XOSAMSDTSA-N
Compound name
(2E,4Z,6E,8E)-1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,6,8-tetraen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.14667 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.153946 156.9
[M+Na]+ 252.135888 161.4
[M-H]- 228.139394 157.6
[M+NH4]+ 247.180493 173.4
[M+K]+ 268.109828 156.3
[M+H-H2O]+ 212.143930 149.7
[M+HCOO]- 274.144871 175.6
[M+CH3COO]- 288.160521 188.0
[M+Na-2H]- 250.121336 158.8
[M]+ 229.14612142 153.6
[M]- 229.14721858 153.6
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.