CID 11778080

72242-03-6

Structural Information

Molecular Formula

C₁₈H₂₇NO

SMILES

COC1=CC=CC(=C1)C2(CCCCC2)N3CCCCC3

InChI

InChI=1S/C18H27NO/c1-20-17-10-8-9-16(15-17)18(11-4-2-5-12-18)19-13-6-3-7-14-19/h8-10,15H,2-7,11-14H2,1H3

InChIKey

BQQSZHHKGPOXLN-UHFFFAOYSA-N

Compound name

1-[1-(3-methoxyphenyl)cyclohexyl]piperidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 49
Patents: 273.20926 Da
Monoisotopic Mass: 3.6
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]+	274.21654	169.0
[M+Na]+	296.19848	170.8
[M-H]-	272.20198	175.1
[M+NH4]+	291.24308	184.6
[M+K]+	312.17242	167.2
[M+H-H2O]+	256.20652	159.0
[M+HCOO]-	318.20746	183.6
[M+CH3COO]-	332.22311	177.9
[M+Na-2H]-	294.18393	171.2
[M]+	273.20871	160.6
[M]-	273.20981	160.6

Literature stripe

literature stripe

Patent stripe

patents stripe