CID 59238644

4-methyl-4-(morpholin-4-yl)cyclohexan-1-one

Structural Information

Molecular Formula

C₁₁H₁₉NO₂

SMILES

CC1(CCC(=O)CC1)N2CCOCC2

InChI

InChI=1S/C11H19NO2/c1-11(4-2-10(13)3-5-11)12-6-8-14-9-7-12/h2-9H2,1H3

InChIKey

GPCBTAQXTZJOFF-UHFFFAOYSA-N

Compound name

4-methyl-4-morpholin-4-ylcyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 197.14159 Da
Monoisotopic Mass: 0.3
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]+	198.14887	147.2
[M+Na]+	220.13081	158.0
[M+NH4]+	215.17541	157.1
[M+K]+	236.10475	150.1
[M-H]-	196.13431	151.6
[M+Na-2H]-	218.11626	153.6
[M]+	197.14104	150.0
[M]-	197.14214	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe