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: 158
Patents: 319.21475 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe