CID 131751446

Chebi:185558

Structural Information

Molecular Formula
C16H17NO
SMILES
C#CC#CCC/C=C\C=C\C(=O)N1CCCC=C1
InChI
InChI=1S/C16H17NO/c1-2-3-4-5-6-7-8-10-13-16(18)17-14-11-9-12-15-17/h1,7-8,10-11,13-14H,5-6,9,12,15H2/b8-7-,13-10+
InChIKey
OGBLCPGFTJJOTG-BRSIODNASA-N
Compound name
(2E,4Z)-1-(3,4-dihydro-2H-pyridin-1-yl)undeca-2,4-dien-8,10-diyn-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

239.13101 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13829 179.8
[M+Na]+ 262.12023 187.6
[M+NH4]+ 257.16483 179.4
[M+K]+ 278.09417 176.1
[M-H]- 238.12373 167.9
[M+Na-2H]- 260.10568 176.9
[M]+ 239.13046 176.2
[M]- 239.13156 176.2
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

patents stripe