CID 15609890

Dodeca-2e,4e,8z-trienoic acid isobutylamide

Structural Information

Molecular Formula
C16H27NO
SMILES
CCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C
InChI
InChI=1S/C16H27NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h6-7,10-13,15H,4-5,8-9,14H2,1-3H3,(H,17,18)/b7-6-,11-10+,13-12+
InChIKey
BIALAUUMSWBKIU-AYDIKMHNSA-N
Compound name
(2E,4E,8Z)-N-(2-methylpropyl)dodeca-2,4,8-trienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

12
Patents

249.20926 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.21654 167.5
[M+Na]+ 272.19848 170.7
[M-H]- 248.20198 166.3
[M+NH4]+ 267.24308 184.6
[M+K]+ 288.17242 166.8
[M+H-H2O]+ 232.20652 161.3
[M+HCOO]- 294.20746 188.1
[M+CH3COO]- 308.22311 199.6
[M+Na-2H]- 270.18393 167.0
[M]+ 249.20871 168.8
[M]- 249.20981 168.8
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.