CID 58789

101710-86-5

Structural Information

Molecular Formula

C₂₀H₂₉NO₃

SMILES

CN1CCC(CC1)COC(=O)C(C2CCCC2)(C3=CC=CC=C3)O

InChI

InChI=1S/C20H29NO3/c1-21-13-11-16(12-14-21)15-24-19(22)20(23,18-9-5-6-10-18)17-7-3-2-4-8-17/h2-4,7-8,16,18,23H,5-6,9-15H2,1H3

InChIKey

CTYKRAGXXBQSOL-UHFFFAOYSA-N

Compound name

(1-methylpiperidin-4-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 331.21475 Da
Monoisotopic Mass: 3.6
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]+	332.222026	182.0
[M+Na]+	354.203968	182.6
[M-H]-	330.207474	187.0
[M+NH4]+	349.248573	194.4
[M+K]+	370.177908	179.1
[M+H-H2O]+	314.212010	173.3
[M+HCOO]-	376.212951	194.6
[M+CH3COO]-	390.228601	204.7
[M+Na-2H]-	352.189416	180.4
[M]+	331.21420142	175.6
[M]-	331.21529858	175.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe