CID 87311177

N-isobutyl-2,4,8-decatrienamide

Structural Information

Molecular Formula
C14H23NO
SMILES
C/C=C\CC/C=C\C=C\C(=O)NCC(C)C
InChI
InChI=1S/C14H23NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4-5,8-11,13H,6-7,12H2,1-3H3,(H,15,16)/b5-4-,9-8-,11-10+
InChIKey
OCUXKVCDBHKIIP-ZIVSJQOCSA-N
Compound name
(2E,4Z,8Z)-N-(2-methylpropyl)deca-2,4,8-trienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

221.17796 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.18524 158.9
[M+Na]+ 244.16718 166.6
[M+NH4]+ 239.21178 164.5
[M+K]+ 260.14112 159.9
[M-H]- 220.17068 157.5
[M+Na-2H]- 242.15263 159.9
[M]+ 221.17741 159.1
[M]- 221.17851 159.1
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