CID 94879

2-butoxy-n-cyclohexylacetamide

Structural Information

Molecular Formula

C₁₂H₂₃NO₂

SMILES

CCCCOCC(=O)NC1CCCCC1

InChI

InChI=1S/C12H23NO2/c1-2-3-9-15-10-12(14)13-11-7-5-4-6-8-11/h11H,2-10H2,1H3,(H,13,14)

InChIKey

QSANILXNFGLBND-UHFFFAOYSA-N

Compound name

2-butoxy-N-cyclohexylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 213.17288 Da
Monoisotopic Mass: 2.5
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]+	214.18016	152.6
[M+Na]+	236.16210	160.7
[M+NH4]+	231.20670	160.1
[M+K]+	252.13604	154.6
[M-H]-	212.16560	154.1
[M+Na-2H]-	234.14755	156.1
[M]+	213.17233	153.8
[M]-	213.17343	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe