CID 73811

N,n-dibutylacetamide

Structural Information

Molecular Formula

C₁₀H₂₁NO

SMILES

CCCCN(CCCC)C(=O)C

InChI

InChI=1S/C10H21NO/c1-4-6-8-11(10(3)12)9-7-5-2/h4-9H2,1-3H3

InChIKey

MEXKFCWMWJZDMF-UHFFFAOYSA-N

Compound name

N,N-dibutylacetamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 936
Patents: 171.16231 Da
Monoisotopic Mass: 2.2
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]+	172.169586	143.7
[M+Na]+	194.151528	148.7
[M-H]-	170.155034	144.8
[M+NH4]+	189.196133	164.7
[M+K]+	210.125468	149.1
[M+H-H2O]+	154.159570	138.0
[M+HCOO]-	216.160511	167.1
[M+CH3COO]-	230.176161	188.9
[M+Na-2H]-	192.136976	146.8
[M]+	171.16176142	147.0
[M]-	171.16285858	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe