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
3
Annotation Hits

0
References

165
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 181.6
[M+Na]+ 342.20397 185.2
[M-H]- 318.20747 182.7
[M+NH4]+ 337.24857 195.2
[M+K]+ 358.17791 181.5
[M+H-H2O]+ 302.21201 174.1
[M+HCOO]- 364.21295 201.3
[M+CH3COO]- 378.22860 210.9
[M+Na-2H]- 340.18942 180.3
[M]+ 319.21420 184.7
[M]- 319.21530 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.