CID 20423

Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester

Structural Information

Molecular Formula

C₂₀H₂₃NO₃

SMILES

C1CCN(C1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C20H23NO3/c22-19(24-16-15-21-13-7-8-14-21)20(23,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,23H,7-8,13-16H2

InChIKey

PWSPYDPXLSEQQH-UHFFFAOYSA-N

Compound name

2-pyrrolidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 325.1678 Da
Monoisotopic Mass: 3.2
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]+	326.175076	178.3
[M+Na]+	348.157018	181.1
[M-H]-	324.160524	184.1
[M+NH4]+	343.201623	190.8
[M+K]+	364.130958	176.9
[M+H-H2O]+	308.165060	169.3
[M+HCOO]-	370.166001	195.3
[M+CH3COO]-	384.181651	202.4
[M+Na-2H]-	346.142466	180.3
[M]+	325.16725142	175.7
[M]-	325.16834858	175.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.