CID 19514

Prodilidine

Structural Information

Molecular Formula

C₁₅H₂₁NO₂

SMILES

CCC(=O)OC1(CCN(C1C)C)C2=CC=CC=C2

InChI

InChI=1S/C15H21NO2/c1-4-14(17)18-15(10-11-16(3)12(15)2)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3

InChIKey

LUKSBMJXPCFBKO-UHFFFAOYSA-N

Compound name

(1,2-dimethyl-3-phenylpyrrolidin-3-yl) propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1094
Patents: 247.15723 Da
Monoisotopic Mass: 2.5
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]+	248.16451	157.9
[M+Na]+	270.14645	164.8
[M-H]-	246.14995	163.2
[M+NH4]+	265.19105	177.8
[M+K]+	286.12039	162.4
[M+H-H2O]+	230.15449	151.1
[M+HCOO]-	292.15543	178.3
[M+CH3COO]-	306.17108	193.4
[M+Na-2H]-	268.13190	159.6
[M]+	247.15668	158.4
[M]-	247.15778	158.4

Literature stripe

literature stripe

Patent stripe

patents stripe