CID 3075697

Acetamide, n-(2-(nonylamino)ethyl)-

Structural Information

Molecular Formula

C₁₃H₂₈N₂O

SMILES

CCCCCCCCCNCCNC(=O)C

InChI

InChI=1S/C13H28N2O/c1-3-4-5-6-7-8-9-10-14-11-12-15-13(2)16/h14H,3-12H2,1-2H3,(H,15,16)

InChIKey

YFWXSUYHFNMACR-UHFFFAOYSA-N

Compound name

N-[2-(nonylamino)ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 228.22017 Da
Monoisotopic Mass: 3.1
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]+	229.227446	161.0
[M+Na]+	251.209388	163.6
[M-H]-	227.212894	159.9
[M+NH4]+	246.253993	178.5
[M+K]+	267.183328	161.8
[M+H-H2O]+	211.217430	154.2
[M+HCOO]-	273.218371	183.9
[M+CH3COO]-	287.234021	199.3
[M+Na-2H]-	249.194836	163.4
[M]+	228.21962142	163.2
[M]-	228.22071858	163.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.