CID 73810

N-acetyl-n-butylacetamide

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CCCCN(C(=O)C)C(=O)C

InChI

InChI=1S/C8H15NO2/c1-4-5-6-9(7(2)10)8(3)11/h4-6H2,1-3H3

InChIKey

FEOFWXBYTMJIBA-UHFFFAOYSA-N

Compound name

N-acetyl-N-butylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 37
Patents: 157.11028 Da
Monoisotopic Mass: 0.8
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]+	158.117556	135.9
[M+Na]+	180.099498	141.9
[M-H]-	156.103004	137.6
[M+NH4]+	175.144103	157.3
[M+K]+	196.073438	143.2
[M+H-H2O]+	140.107540	130.7
[M+HCOO]-	202.108481	159.5
[M+CH3COO]-	216.124131	184.1
[M+Na-2H]-	178.084946	138.9
[M]+	157.10973142	138.5
[M]-	157.11082858	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe