CID 70066

Guaiapate

Structural Information

Molecular Formula

C₁₈H₂₉NO₄

SMILES

COC1=CC=CC=C1OCCOCCOCCN2CCCCC2

InChI

InChI=1S/C18H29NO4/c1-20-17-7-3-4-8-18(17)23-16-15-22-14-13-21-12-11-19-9-5-2-6-10-19/h3-4,7-8H,2,5-6,9-16H2,1H3

InChIKey

PPVFOZYARYOARE-UHFFFAOYSA-N

Compound name

1-[2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 343
Patents: 323.20966 Da
Monoisotopic Mass: 2.5
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]+	324.21694	179.9
[M+Na]+	346.19888	190.5
[M+NH4]+	341.24348	186.6
[M+K]+	362.17282	182.9
[M-H]-	322.20238	182.5
[M+Na-2H]-	344.18433	185.3
[M]+	323.20911	182.0
[M]-	323.21021	182.0

Literature stripe

literature stripe

Patent stripe

patents stripe