CID 216515

2-(morpholinomethyl)cyclohexanone

Structural Information

Molecular Formula

C₁₁H₁₉NO₂

SMILES

C1CCC(=O)C(C1)CN2CCOCC2

InChI

InChI=1S/C11H19NO2/c13-11-4-2-1-3-10(11)9-12-5-7-14-8-6-12/h10H,1-9H2

InChIKey

ITUIDFIGDHVCPN-UHFFFAOYSA-N

Compound name

2-(morpholin-4-ylmethyl)cyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 12
Patents: 197.14159 Da
Monoisotopic Mass: 0.6
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]+	198.148866	146.0
[M+Na]+	220.130808	148.8
[M-H]-	196.134314	150.1
[M+NH4]+	215.175413	161.8
[M+K]+	236.104748	148.3
[M+H-H2O]+	180.138850	138.0
[M+HCOO]-	242.139791	161.0
[M+CH3COO]-	256.155441	182.2
[M+Na-2H]-	218.116256	149.6
[M]+	197.14104142	139.0
[M]-	197.14213858	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe