CID 2998

Nonivamide

Structural Information

Molecular Formula

C₁₇H₂₇NO₃

SMILES

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

InChI

InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20)

InChIKey

RGOVYLWUIBMPGK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 100
References: 10942
Patents: 293.1991 Da
Monoisotopic Mass: 4.2
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]+	294.20638	173.2
[M+Na]+	316.18832	182.7
[M+NH4]+	311.23292	179.0
[M+K]+	332.16226	176.1
[M-H]-	292.19182	174.1
[M+Na-2H]-	314.17377	176.6
[M]+	293.19855	174.5
[M]-	293.19965	174.5

Literature stripe

literature stripe

Patent stripe

patents stripe