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]+ 272.20088 172.1
[M+Na]+ 294.18282 177.8
[M-H]- 270.18632 170.4
[M+NH4]+ 289.22742 186.6
[M+K]+ 310.15676 171.9
[M+H-H2O]+ 254.19086 159.9
[M+HCOO]- 316.19180 187.0
[M+CH3COO]- 330.20745 207.1
[M+Na-2H]- 292.16827 170.3
[M]+ 271.19305 167.2
[M]- 271.19415 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.