CID 203239

14053-16-8

Structural Information

Molecular Formula

C₁₂H₁₃NO₃

SMILES

CC(=O)OC1=CC=C(C=C1)N2CCCC2=O

InChI

InChI=1S/C12H13NO3/c1-9(14)16-11-6-4-10(5-7-11)13-8-2-3-12(13)15/h4-7H,2-3,8H2,1H3

InChIKey

FPQOGNXITGCHBL-UHFFFAOYSA-N

Compound name

[4-(2-oxopyrrolidin-1-yl)phenyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 219.08954 Da
Monoisotopic Mass: 1.1
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]+	220.09682	147.0
[M+Na]+	242.07876	154.3
[M-H]-	218.08226	152.4
[M+NH4]+	237.12336	165.7
[M+K]+	258.05270	152.4
[M+H-H2O]+	202.08680	139.8
[M+HCOO]-	264.08774	168.7
[M+CH3COO]-	278.10339	186.1
[M+Na-2H]-	240.06421	149.1
[M]+	219.08899	146.8
[M]-	219.09009	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe