CID 479460

2-decoxyacetamide

Structural Information

Molecular Formula

C₁₂H₂₅NO₂

SMILES

CCCCCCCCCCOCC(=O)N

InChI

InChI=1S/C12H25NO2/c1-2-3-4-5-6-7-8-9-10-15-11-12(13)14/h2-11H2,1H3,(H2,13,14)

InChIKey

SXPFZWFYSUVJMH-UHFFFAOYSA-N

Compound name

2-decoxyacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 9
Patents: 215.18852 Da
Monoisotopic Mass: 3.5
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]+	216.19580	155.9
[M+Na]+	238.17774	159.8
[M-H]-	214.18124	154.5
[M+NH4]+	233.22234	174.0
[M+K]+	254.15168	158.3
[M+H-H2O]+	198.18578	149.7
[M+HCOO]-	260.18672	177.8
[M+CH3COO]-	274.20237	193.3
[M+Na-2H]-	236.16319	157.6
[M]+	215.18797	159.1
[M]-	215.18907	159.1

Literature stripe

literature stripe

Patent stripe

patents stripe