CID 5353001

Spilanthol

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

58
References

4121
Patents

221.17796 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.185236 158.4
[M+Na]+ 244.167178 162.5
[M-H]- 220.170684 157.6
[M+NH4]+ 239.211783 176.7
[M+K]+ 260.141118 159.1
[M+H-H2O]+ 204.175220 152.6
[M+HCOO]- 266.176161 179.7
[M+CH3COO]- 280.191811 193.5
[M+Na-2H]- 242.152626 158.9
[M]+ 221.17741142 158.9
[M]- 221.17850858 158.9
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