CID 3084336

Homodihydrocapsaicin i

Structural Information

Molecular Formula

C₁₉H₃₁NO₃

SMILES

CC(C)CCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C19H31NO3/c1-15(2)9-7-5-4-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h11-13,15,21H,4-10,14H2,1-3H3,(H,20,22)

InChIKey

AKDLSISGGARWFP-UHFFFAOYSA-N

Compound name

N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldecanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2566
Patents: 321.2304 Da
Monoisotopic Mass: 5.0
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]+	322.237676	182.8
[M+Na]+	344.219618	186.1
[M-H]-	320.223124	183.8
[M+NH4]+	339.264223	196.3
[M+K]+	360.193558	182.9
[M+H-H2O]+	304.227660	175.2
[M+HCOO]-	366.228601	202.3
[M+CH3COO]-	380.244251	212.3
[M+Na-2H]-	342.205066	181.5
[M]+	321.22985142	186.7
[M]-	321.23094858	186.7

Literature stripe

literature stripe

Patent stripe

patents stripe