CID 3053119

69552-05-2

Structural Information

Molecular Formula

C₁₆H₂₃NO₃

SMILES

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

InChI

InChI=1S/C16H23NO3/c1-5-15(18)20-16(9-10-17(3)12(16)2)13-7-6-8-14(11-13)19-4/h6-8,11-12H,5,9-10H2,1-4H3

InChIKey

MSOHVPSPIRBWAL-UHFFFAOYSA-N

Compound name

[3-(3-methoxyphenyl)-1,2-dimethylpyrrolidin-3-yl] propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.1678 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]+	278.175076	164.5
[M+Na]+	300.157018	171.7
[M-H]-	276.160524	169.9
[M+NH4]+	295.201623	183.3
[M+K]+	316.130958	169.7
[M+H-H2O]+	260.165060	157.7
[M+HCOO]-	322.166001	184.7
[M+CH3COO]-	336.181651	199.6
[M+Na-2H]-	298.142466	165.2
[M]+	277.16725142	167.2
[M]-	277.16834858	167.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.