CID 10086

467-68-5

Structural Information

Molecular Formula

C₂₀H₂₉NO₃

SMILES

CCN1CCCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O

InChI

InChI=1S/C20H29NO3/c1-2-21-14-8-13-18(15-21)24-19(22)20(23,17-11-6-7-12-17)16-9-4-3-5-10-16/h3-5,9-10,17-18,23H,2,6-8,11-15H2,1H3

InChIKey

OAWRXBDGRIPUMA-UHFFFAOYSA-N

Compound name

(1-ethylpiperidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 331.21475 Da
Monoisotopic Mass: 3.8
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]+	332.22203	182.0
[M+Na]+	354.20397	182.6
[M-H]-	330.20747	187.0
[M+NH4]+	349.24857	194.4
[M+K]+	370.17791	179.1
[M+H-H2O]+	314.21201	173.3
[M+HCOO]-	376.21295	194.6
[M+CH3COO]-	390.22860	204.7
[M+Na-2H]-	352.18942	180.4
[M]+	331.21420	175.6
[M]-	331.21530	175.6

Literature stripe

literature stripe

Patent stripe

patents stripe