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]+ 230.15395 156.9
[M+Na]+ 252.13589 161.4
[M-H]- 228.13939 157.6
[M+NH4]+ 247.18049 173.4
[M+K]+ 268.10983 156.3
[M+H-H2O]+ 212.14393 149.7
[M+HCOO]- 274.14487 175.6
[M+CH3COO]- 288.16052 188.0
[M+Na-2H]- 250.12134 158.8
[M]+ 229.14612 153.6
[M]- 229.14722 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.