CID 3619955

31758-23-3

Structural Information

Molecular Formula

C₁₈H₂₉NO₂

SMILES

CCCCCCCCCCOC1=CC=CC(=C1)NC(=O)C

InChI

InChI=1S/C18H29NO2/c1-3-4-5-6-7-8-9-10-14-21-18-13-11-12-17(15-18)19-16(2)20/h11-13,15H,3-10,14H2,1-2H3,(H,19,20)

InChIKey

PBZWCOVBTZLYLQ-UHFFFAOYSA-N

Compound name

N-(3-decoxyphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 291.21982 Da
Monoisotopic Mass: 6.0
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]+	292.22710	174.9
[M+Na]+	314.20904	178.5
[M-H]-	290.21254	177.1
[M+NH4]+	309.25364	190.2
[M+K]+	330.18298	175.3
[M+H-H2O]+	274.21708	167.1
[M+HCOO]-	336.21802	197.1
[M+CH3COO]-	350.23367	207.8
[M+Na-2H]-	312.19449	176.5
[M]+	291.21927	179.2
[M]-	291.22037	179.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe