CID 108768

N-[4-(octyloxy)phenyl]acetamide

Structural Information

Molecular Formula

C₁₆H₂₅NO₂

SMILES

CCCCCCCCOC1=CC=C(C=C1)NC(=O)C

InChI

InChI=1S/C16H25NO2/c1-3-4-5-6-7-8-13-19-16-11-9-15(10-12-16)17-14(2)18/h9-12H,3-8,13H2,1-2H3,(H,17,18)

InChIKey

HMPTWPNTOGSDBF-UHFFFAOYSA-N

Compound name

N-(4-octoxyphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 263.18854 Da
Monoisotopic Mass: 4.6
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]+	264.195816	165.8
[M+Na]+	286.177758	170.3
[M-H]-	262.181264	168.4
[M+NH4]+	281.222363	182.3
[M+K]+	302.151698	167.5
[M+H-H2O]+	246.185800	158.4
[M+HCOO]-	308.186741	188.7
[M+CH3COO]-	322.202391	201.8
[M+Na-2H]-	284.163206	168.5
[M]+	263.18799142	169.3
[M]-	263.18908858	169.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe