CID 121543

1934-49-2

Structural Information

Molecular Formula

C₁₆H₂₃NO

SMILES

C1CCC(CC1)(C2=CC=CC=C2)N3CCOCC3

InChI

InChI=1S/C16H23NO/c1-3-7-15(8-4-1)16(9-5-2-6-10-16)17-11-13-18-14-12-17/h1,3-4,7-8H,2,5-6,9-14H2

InChIKey

CHMXTQJRXRJHDG-UHFFFAOYSA-N

Compound name

4-(1-phenylcyclohexyl)morpholine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 4
Patents: 245.17796 Da
Monoisotopic Mass: 2.4
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]+	246.18524	159.8
[M+Na]+	268.16718	161.7
[M-H]-	244.17068	166.5
[M+NH4]+	263.21178	174.9
[M+K]+	284.14112	159.6
[M+H-H2O]+	228.17522	150.0
[M+HCOO]-	290.17616	174.1
[M+CH3COO]-	304.19181	169.3
[M+Na-2H]-	266.15263	164.5
[M]+	245.17741	150.9
[M]-	245.17851	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe