CID 52685

73855-96-6

Structural Information

Molecular Formula

C₁₁H₁₉NO

SMILES

CCC1(CNC1=O)C2CCCCC2

InChI

InChI=1S/C11H19NO/c1-2-11(8-12-10(11)13)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,12,13)

InChIKey

LAHHTKGELKMYQK-UHFFFAOYSA-N

Compound name

3-cyclohexyl-3-ethylazetidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 181.14667 Da
Monoisotopic Mass: 2.7
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]+	182.153946	141.4
[M+Na]+	204.135888	145.1
[M-H]-	180.139394	144.4
[M+NH4]+	199.180493	154.7
[M+K]+	220.109828	145.6
[M+H-H2O]+	164.143930	130.7
[M+HCOO]-	226.144871	157.0
[M+CH3COO]-	240.160521	181.9
[M+Na-2H]-	202.121336	145.1
[M]+	181.14612142	143.7
[M]-	181.14721858	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe