CID 11054790

N-(2e,4e,10e,12z-tetradecatetraen-8-yn-oyl) isobutylamine

Structural Information

Molecular Formula
C18H25NO
SMILES
C/C=C\C=C\C#CCC/C=C/C=C/C(=O)NCC(C)C
InChI
InChI=1S/C18H25NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h4-7,12-15,17H,10-11,16H2,1-3H3,(H,19,20)/b5-4-,7-6+,13-12+,15-14+
InChIKey
BBSFQPJZOWFJSG-SCQJVDGFSA-N
Compound name
(2E,4E,10E,12Z)-N-(2-methylpropyl)tetradeca-2,4,10,12-tetraen-8-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.1936 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.200876 172.1
[M+Na]+ 294.182818 177.8
[M-H]- 270.186324 170.4
[M+NH4]+ 289.227423 186.6
[M+K]+ 310.156758 171.9
[M+H-H2O]+ 254.190860 159.9
[M+HCOO]- 316.191801 187.0
[M+CH3COO]- 330.207451 207.1
[M+Na-2H]- 292.168266 170.3
[M]+ 271.19305142 167.2
[M]- 271.19414858 167.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.