CID 12546192

Ethyl n-(4-oxocyclohexyl)carbamate

Structural Information

Molecular Formula

C₉H₁₅NO₃

SMILES

CCOC(=O)NC1CCC(=O)CC1

InChI

InChI=1S/C9H15NO3/c1-2-13-9(12)10-7-3-5-8(11)6-4-7/h7H,2-6H2,1H3,(H,10,12)

InChIKey

QTWZIQLAPSOQNL-UHFFFAOYSA-N

Compound name

ethyl N-(4-oxocyclohexyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 185.1052 Da
Monoisotopic Mass: 0.5
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]+	186.11248	141.1
[M+Na]+	208.09442	149.8
[M+NH4]+	203.13902	148.3
[M+K]+	224.06836	145.0
[M-H]-	184.09792	142.0
[M+Na-2H]-	206.07987	144.6
[M]+	185.10465	142.1
[M]-	185.10575	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe