CID 13085448

2-(diethylamino)cyclohexan-1-one

Structural Information

Molecular Formula

C₁₀H₁₉NO

SMILES

CCN(CC)C1CCCCC1=O

InChI

InChI=1S/C10H19NO/c1-3-11(4-2)9-7-5-6-8-10(9)12/h9H,3-8H2,1-2H3

InChIKey

UNWHEYKBHKVKGQ-UHFFFAOYSA-N

Compound name

2-(diethylamino)cyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 169.14667 Da
Monoisotopic Mass: 1.7
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]+	170.153946	139.3
[M+Na]+	192.135888	143.6
[M-H]-	168.139394	143.4
[M+NH4]+	187.180493	160.1
[M+K]+	208.109828	143.5
[M+H-H2O]+	152.143930	133.2
[M+HCOO]-	214.144871	161.1
[M+CH3COO]-	228.160521	186.1
[M+Na-2H]-	190.121336	142.8
[M]+	169.14612142	136.9
[M]-	169.14721858	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe