CID 71756317

2-(morpholin-3-yl)cyclohexan-1-one hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

C1CCC(=O)C(C1)C2COCCN2

InChI

InChI=1S/C10H17NO2/c12-10-4-2-1-3-8(10)9-7-13-6-5-11-9/h8-9,11H,1-7H2

InChIKey

NCQBNMVGQRGUHD-UHFFFAOYSA-N

Compound name

2-morpholin-3-ylcyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 183.12593 Da
Monoisotopic Mass: 0.2
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]+	184.13321	142.2
[M+Na]+	206.11515	145.1
[M-H]-	182.11865	145.1
[M+NH4]+	201.15975	157.9
[M+K]+	222.08909	143.8
[M+H-H2O]+	166.12319	134.7
[M+HCOO]-	228.12413	156.0
[M+CH3COO]-	242.13978	176.6
[M+Na-2H]-	204.10060	145.9
[M]+	183.12538	133.0
[M]-	183.12648	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe