CID 3057784

Brn 1395365

Structural Information

Molecular Formula

C₁₈H₂₇NO₄

SMILES

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

InChI

InChI=1S/C18H27NO4/c1-3-17(21)23-18(16-7-5-4-6-8-16)9-10-19(15(18)2)11-13-22-14-12-20/h4-8,15,20H,3,9-14H2,1-2H3

InChIKey

VESLVDYMKPUAJK-UHFFFAOYSA-N

Compound name

[1-[2-(2-hydroxyethoxy)ethyl]-2-methyl-3-phenylpyrrolidin-3-yl] propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 321.194 Da
Monoisotopic Mass: 1.7
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]+	322.201276	177.8
[M+Na]+	344.183218	182.6
[M-H]-	320.186724	181.0
[M+NH4]+	339.227823	193.7
[M+K]+	360.157158	179.8
[M+H-H2O]+	304.191260	170.4
[M+HCOO]-	366.192201	196.0
[M+CH3COO]-	380.207851	203.9
[M+Na-2H]-	342.168666	177.7
[M]+	321.19345142	180.3
[M]-	321.19454858	180.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe