CID 3042755

Benzamide, 2-(octyloxy)-

Structural Information

Molecular Formula

C₁₅H₂₃NO₂

SMILES

CCCCCCCCOC1=CC=CC=C1C(=O)N

InChI

InChI=1S/C15H23NO2/c1-2-3-4-5-6-9-12-18-14-11-8-7-10-13(14)15(16)17/h7-8,10-11H,2-6,9,12H2,1H3,(H2,16,17)

InChIKey

ZYVUDNVAWMXRMR-UHFFFAOYSA-N

Compound name

2-octoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 534
Patents: 249.17288 Da
Monoisotopic Mass: 4.3
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]+	250.18016	161.5
[M+Na]+	272.16210	166.3
[M-H]-	248.16560	163.7
[M+NH4]+	267.20670	178.2
[M+K]+	288.13604	163.4
[M+H-H2O]+	232.17014	154.3
[M+HCOO]-	294.17108	184.1
[M+CH3COO]-	308.18673	198.8
[M+Na-2H]-	270.14755	163.7
[M]+	249.17233	163.7
[M]-	249.17343	163.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe