CID 169252

N-vanillyldecanamide

Structural Information

Molecular Formula

C₁₈H₂₉NO₃

SMILES

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

InChI

InChI=1S/C18H29NO3/c1-3-4-5-6-7-8-9-10-18(21)19-14-15-11-12-16(20)17(13-15)22-2/h11-13,20H,3-10,14H2,1-2H3,(H,19,21)

InChIKey

QLHTWDQJPOTDMV-UHFFFAOYSA-N

Compound name

N-[(4-hydroxy-3-methoxyphenyl)methyl]decanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 143
Patents: 307.21475 Da
Monoisotopic Mass: 4.7
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]+	308.222026	177.7
[M+Na]+	330.203968	181.7
[M-H]-	306.207474	178.9
[M+NH4]+	325.248573	191.9
[M+K]+	346.177908	178.2
[M+H-H2O]+	290.212010	170.1
[M+HCOO]-	352.212951	198.6
[M+CH3COO]-	366.228601	208.5
[M+Na-2H]-	328.189416	178.2
[M]+	307.21420142	181.9
[M]-	307.21529858	181.9

Literature stripe

literature stripe

Patent stripe

patents stripe