CID 131751109

Echinacein

Structural Information

Molecular Formula
C16H25NO
SMILES
C/C=C\C=C\C=C/CC/C=C/C(=O)NCC(C)C
InChI
InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,17,18)/b5-4-,7-6+,9-8-,13-12+
InChIKey
SBXYHCVXUCYYJT-JRNWQWJGSA-N
Compound name
(2E,6Z,8E,10Z)-N-(2-methylpropyl)dodeca-2,6,8,10-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

247.19362 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.200896 165.9
[M+Na]+ 270.182838 169.6
[M-H]- 246.186344 164.9
[M+NH4]+ 265.227443 183.2
[M+K]+ 286.156778 165.1
[M+H-H2O]+ 230.190880 159.9
[M+HCOO]- 292.191821 186.8
[M+CH3COO]- 306.207471 198.0
[M+Na-2H]- 268.168286 165.5
[M]+ 247.19307142 166.5
[M]- 247.19416858 166.5
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