CID 3063629

Nu-782

Structural Information

Molecular Formula

C₁₆H₂₃NO₂

SMILES

CCC(=O)OC1(CCN(CC1)CC)C2=CC=CC=C2

InChI

InChI=1S/C16H23NO2/c1-3-15(18)19-16(14-8-6-5-7-9-14)10-12-17(4-2)13-11-16/h5-9H,3-4,10-13H2,1-2H3

InChIKey

QJSXFPCMKPSMCC-UHFFFAOYSA-N

Compound name

(1-ethyl-4-phenylpiperidin-4-yl) propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 261.17288 Da
Monoisotopic Mass: 2.8
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]+	262.180156	163.4
[M+Na]+	284.162098	167.9
[M-H]-	260.165604	167.7
[M+NH4]+	279.206703	180.3
[M+K]+	300.136038	165.4
[M+H-H2O]+	244.170140	155.3
[M+HCOO]-	306.171081	181.2
[M+CH3COO]-	320.186731	195.7
[M+Na-2H]-	282.147546	166.6
[M]+	261.17233142	161.5
[M]-	261.17342858	161.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe