CID 766257

42419-59-0

Structural Information

Molecular Formula

C₁₁H₁₈N₂O

SMILES

C1CCC(CC1)(C#N)N2CCOCC2

InChI

InChI=1S/C11H18N2O/c12-10-11(4-2-1-3-5-11)13-6-8-14-9-7-13/h1-9H2

InChIKey

NOOGGLVJRULEIG-UHFFFAOYSA-N

Compound name

1-morpholin-4-ylcyclohexane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 5
Patents: 194.1419 Da
Monoisotopic Mass: 1.3
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]+	195.149176	140.3
[M+Na]+	217.131118	146.4
[M-H]-	193.134624	143.7
[M+NH4]+	212.175723	156.4
[M+K]+	233.105058	143.2
[M+H-H2O]+	177.139160	126.5
[M+HCOO]-	239.140101	152.5
[M+CH3COO]-	253.155751	150.1
[M+Na-2H]-	215.116566	145.9
[M]+	194.14135142	128.5
[M]-	194.14244858	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe