CID 6442566

Homocapsaicin

Structural Information

Molecular Formula
C19H29NO3
SMILES
CC(C)/C=C/CCCCCC(=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/h7,9,11-13,15,21H,4-6,8,10,14H2,1-3H3,(H,20,22)/b9-7+
InChIKey
JKIHLSTUOQHAFF-VQHVLOKHSA-N
Compound name
(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

155
Patents

319.21475 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.22203 181.4
[M+Na]+ 342.20397 190.2
[M+NH4]+ 337.24857 186.5
[M+K]+ 358.17791 183.8
[M-H]- 318.20747 181.7
[M+Na-2H]- 340.18942 183.7
[M]+ 319.21420 182.3
[M]- 319.21530 182.3
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