CID 725658

Refchem:527758

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

CC1(CC(=CC(=O)C1)N2CCOCC2)C

InChI

InChI=1S/C12H19NO2/c1-12(2)8-10(7-11(14)9-12)13-3-5-15-6-4-13/h7H,3-6,8-9H2,1-2H3

InChIKey

AZJFAQDAOWAUAN-UHFFFAOYSA-N

Compound name

5,5-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 13
Patents: 209.14159 Da
Monoisotopic Mass: -0.4
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]+	210.14887	147.7
[M+Na]+	232.13081	153.2
[M-H]-	208.13431	152.9
[M+NH4]+	227.17541	165.6
[M+K]+	248.10475	152.5
[M+H-H2O]+	192.13885	140.5
[M+HCOO]-	254.13979	163.9
[M+CH3COO]-	268.15544	185.5
[M+Na-2H]-	230.11626	152.3
[M]+	209.14104	143.3
[M]-	209.14214	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe