CID 19382

3686-69-9

Structural Information

Molecular Formula

C₁₆H₂₃NO₃

SMILES

CCCOC1=CC=C(C=C1)C(=O)OCCN2CCCC2

InChI

InChI=1S/C16H23NO3/c1-2-12-19-15-7-5-14(6-8-15)16(18)20-13-11-17-9-3-4-10-17/h5-8H,2-4,9-13H2,1H3

InChIKey

UXWKRIVEXUOWEL-UHFFFAOYSA-N

Compound name

2-pyrrolidin-1-ylethyl 4-propoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.1678 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]+	278.175076	167.1
[M+Na]+	300.157018	171.4
[M-H]-	276.160524	171.3
[M+NH4]+	295.201623	183.1
[M+K]+	316.130958	169.1
[M+H-H2O]+	260.165060	158.7
[M+HCOO]-	322.166001	187.2
[M+CH3COO]-	336.181651	197.7
[M+Na-2H]-	298.142466	167.6
[M]+	277.16725142	168.5
[M]-	277.16834858	168.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.