CID 46839345

Pceea

Structural Information

Molecular Formula

C₁₆H₂₅NO

SMILES

CCOCCNC1(CCCCC1)C2=CC=CC=C2

InChI

InChI=1S/C16H25NO/c1-2-18-14-13-17-16(11-7-4-8-12-16)15-9-5-3-6-10-15/h3,5-6,9-10,17H,2,4,7-8,11-14H2,1H3

InChIKey

PRQVCBDFWYTXDD-UHFFFAOYSA-N

Compound name

N-(2-ethoxyethyl)-1-phenylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 247.19362 Da
Monoisotopic Mass: 3.1
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]+	248.20090	160.5
[M+Na]+	270.18284	163.1
[M-H]-	246.18634	165.5
[M+NH4]+	265.22744	178.7
[M+K]+	286.15678	160.1
[M+H-H2O]+	230.19088	152.7
[M+HCOO]-	292.19182	181.1
[M+CH3COO]-	306.20747	195.5
[M+Na-2H]-	268.16829	165.8
[M]+	247.19307	156.9
[M]-	247.19417	156.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.