CID 107982

Dihydrocapsaicin

Structural Information

Molecular Formula

C₁₈H₂₉NO₃

SMILES

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

InChI

InChI=1S/C18H29NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21)

InChIKey

XJQPQKLURWNAAH-UHFFFAOYSA-N

Compound name

N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 219
References: 6786
Patents: 307.21475 Da
Monoisotopic Mass: 4.4
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]+	308.22203	178.3
[M+Na]+	330.20397	182.0
[M-H]-	306.20747	179.5
[M+NH4]+	325.24857	192.4
[M+K]+	346.17791	179.0
[M+H-H2O]+	290.21201	170.8
[M+HCOO]-	352.21295	198.1
[M+CH3COO]-	366.22860	209.4
[M+Na-2H]-	328.18942	177.5
[M]+	307.21420	181.8
[M]-	307.21530	181.8

Literature stripe

literature stripe

Patent stripe

patents stripe