CID 58781

101710-80-9

Structural Information

Molecular Formula

C₂₁H₃₁NO₃

SMILES

CC1(CCCN1CCOC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C

InChI

InChI=1S/C21H31NO3/c1-20(2)13-8-14-22(20)15-16-25-19(23)21(24,18-11-6-7-12-18)17-9-4-3-5-10-17/h3-5,9-10,18,24H,6-8,11-16H2,1-2H3

InChIKey

OZMLXLPGCQFBKZ-UHFFFAOYSA-N

Compound name

2-(2,2-dimethylpyrrolidin-1-yl)ethyl 2-cyclopentyl-2-hydroxy-2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 345.2304 Da
Monoisotopic Mass: 4.0
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]+	346.237676	187.2
[M+Na]+	368.219618	189.3
[M-H]-	344.223124	193.0
[M+NH4]+	363.264223	203.1
[M+K]+	384.193558	186.0
[M+H-H2O]+	328.227660	179.9
[M+HCOO]-	390.228601	201.9
[M+CH3COO]-	404.244251	206.8
[M+Na-2H]-	366.205066	184.9
[M]+	345.22985142	183.8
[M]-	345.23094858	183.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe