CID 132605908

3-meo-pcmo

Structural Information

Molecular Formula

C₁₇H₂₅NO₂

SMILES

COC1=CC=CC(=C1)C2(CCCCC2)N3CCOCC3

InChI

InChI=1S/C17H25NO2/c1-19-16-7-5-6-15(14-16)17(8-3-2-4-9-17)18-10-12-20-13-11-18/h5-7,14H,2-4,8-13H2,1H3

InChIKey

BOGOEDFWPOXWQE-UHFFFAOYSA-N

Compound name

4-[1-(3-methoxyphenyl)cyclohexyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 275.18854 Da
Monoisotopic Mass: 3.0
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]+	276.19582	168.7
[M+Na]+	298.17776	181.2
[M+NH4]+	293.22236	179.1
[M+K]+	314.15170	171.5
[M-H]-	274.18126	176.0
[M+Na-2H]-	296.16321	177.7
[M]+	275.18799	172.7
[M]-	275.18909	172.7

Literature stripe

literature stripe

Patent stripe

patents stripe