CID 3051014

Cyclohexanecarboxylic acid, 1-phenyl-, (3-morpholinopropyl) ester, hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₉NO₃

SMILES

C1CCC(CC1)(C2=CC=CC=C2)C(=O)OCCCN3CCOCC3

InChI

InChI=1S/C20H29NO3/c22-19(24-15-7-12-21-13-16-23-17-14-21)20(10-5-2-6-11-20)18-8-3-1-4-9-18/h1,3-4,8-9H,2,5-7,10-17H2

InChIKey

COSPMUOZFSQUOQ-UHFFFAOYSA-N

Compound name

3-morpholin-4-ylpropyl 1-phenylcyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 331.21475 Da
Monoisotopic Mass: 3.7
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]+	332.222026	182.9
[M+Na]+	354.203968	182.8
[M-H]-	330.207474	188.9
[M+NH4]+	349.248573	194.2
[M+K]+	370.177908	181.0
[M+H-H2O]+	314.212010	172.3
[M+HCOO]-	376.212951	195.4
[M+CH3COO]-	390.228601	205.8
[M+Na-2H]-	352.189416	184.5
[M]+	331.21420142	176.8
[M]-	331.21529858	176.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.