CID 3077958

Brn 4750778

Structural Information

Molecular Formula

C₁₄H₁₉NO₃

SMILES

CCOC1CCC(=O)N1CC2=CC=C(C=C2)OC

InChI

InChI=1S/C14H19NO3/c1-3-18-14-9-8-13(16)15(14)10-11-4-6-12(17-2)7-5-11/h4-7,14H,3,8-10H2,1-2H3

InChIKey

MFBSNWYKMJYOMX-UHFFFAOYSA-N

Compound name

5-ethoxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 249.13649 Da
Monoisotopic Mass: 1.6
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]+	250.14377	158.0
[M+Na]+	272.12571	169.6
[M+NH4]+	267.17031	165.4
[M+K]+	288.09965	164.9
[M-H]-	248.12921	160.3
[M+Na-2H]-	270.11116	163.4
[M]+	249.13594	160.1
[M]-	249.13704	160.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe