CID 213757

Brn 2454139

Structural Information

Molecular Formula

C₁₅H₂₃NO

SMILES

C1CCN(CC1)CCOCCC2=CC=CC=C2

InChI

InChI=1S/C15H23NO/c1-3-7-15(8-4-1)9-13-17-14-12-16-10-5-2-6-11-16/h1,3-4,7-8H,2,5-6,9-14H2

InChIKey

PNDKKOFYPNUSIB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 233.17796 Da
Monoisotopic Mass: 2.9
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]+	234.185236	156.7
[M+Na]+	256.167178	159.6
[M-H]-	232.170684	160.0
[M+NH4]+	251.211783	172.4
[M+K]+	272.141118	156.5
[M+H-H2O]+	216.175220	147.8
[M+HCOO]-	278.176161	175.2
[M+CH3COO]-	292.191811	190.8
[M+Na-2H]-	254.152626	161.1
[M]+	233.17741142	153.6
[M]-	233.17850858	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe