CID 71448975

Homocapsaicin-i

Structural Information

Molecular Formula
C19H29NO3
SMILES
CC(C)C/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C19H29NO3/c1-15(2)9-7-5-4-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h5,7,11-13,15,21H,4,6,8-10,14H2,1-3H3,(H,20,22)/b7-5+
InChIKey
JZNZUOZRIWOBGG-FNORWQNLSA-N
Compound name
(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-6-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

319.21475 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.222026 181.6
[M+Na]+ 342.203968 185.2
[M-H]- 318.207474 182.7
[M+NH4]+ 337.248573 195.2
[M+K]+ 358.177908 181.5
[M+H-H2O]+ 302.212010 174.1
[M+HCOO]- 364.212951 201.3
[M+CH3COO]- 378.228601 210.9
[M+Na-2H]- 340.189416 180.3
[M]+ 319.21420142 184.7
[M]- 319.21529858 184.7
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