CID 11412613

N-[(4-oxocyclohexyl)methyl]acetamide

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

CC(=O)NCC1CCC(=O)CC1

InChI

InChI=1S/C9H15NO2/c1-7(11)10-6-8-2-4-9(12)5-3-8/h8H,2-6H2,1H3,(H,10,11)

InChIKey

QAXXVSNCADPNGT-UHFFFAOYSA-N

Compound name

N-[(4-oxocyclohexyl)methyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 169.11028 Da
Monoisotopic Mass: 0.0
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]+	170.11756	138.1
[M+Na]+	192.09950	147.2
[M+NH4]+	187.14410	145.8
[M+K]+	208.07344	141.9
[M-H]-	168.10300	139.5
[M+Na-2H]-	190.08495	142.1
[M]+	169.10973	139.4
[M]-	169.11083	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe