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]+ 250.216536 167.5
[M+Na]+ 272.198478 170.7
[M-H]- 248.201984 166.3
[M+NH4]+ 267.243083 184.6
[M+K]+ 288.172418 166.8
[M+H-H2O]+ 232.206520 161.3
[M+HCOO]- 294.207461 188.1
[M+CH3COO]- 308.223111 199.6
[M+Na-2H]- 270.183926 167.0
[M]+ 249.20871142 168.8
[M]- 249.20980858 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

literature stripe

Patent stripe

patents stripe