CID 3042676

Rap 431

Structural Information

Molecular Formula

C₁₇H₂₇NO₂

SMILES

CCCCOC1=CC=CC=C1OCCN2CCCCC2

InChI

InChI=1S/C17H27NO2/c1-2-3-14-19-16-9-5-6-10-17(16)20-15-13-18-11-7-4-8-12-18/h5-6,9-10H,2-4,7-8,11-15H2,1H3

InChIKey

FFVASTJVNYZGQR-UHFFFAOYSA-N

Compound name

1-[2-(2-butoxyphenoxy)ethyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 277.2042 Da
Monoisotopic Mass: 4.0
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]+	278.21148	168.8
[M+Na]+	300.19342	171.7
[M-H]-	276.19692	172.2
[M+NH4]+	295.23802	183.0
[M+K]+	316.16736	168.7
[M+H-H2O]+	260.20146	159.5
[M+HCOO]-	322.20240	186.9
[M+CH3COO]-	336.21805	199.8
[M+Na-2H]-	298.17887	171.5
[M]+	277.20365	168.3
[M]-	277.20475	168.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe