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 164.0
[M+Na]+ 262.12023 172.0
[M-H]- 238.12373 164.0
[M+NH4]+ 257.16483 174.2
[M+K]+ 278.09417 165.2
[M+H-H2O]+ 222.12827 148.6
[M+HCOO]- 284.12921 170.1
[M+CH3COO]- 298.14486 213.9
[M+Na-2H]- 260.10568 163.0
[M]+ 239.13046 153.6
[M]- 239.13156 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

patents stripe