CID 2196

Aniracetam

Structural Information

Molecular Formula

C₁₂H₁₃NO₃

SMILES

COC1=CC=C(C=C1)C(=O)N2CCCC2=O

InChI

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

InChIKey

ZXNRTKGTQJPIJK-UHFFFAOYSA-N

Compound name

1-(4-methoxybenzoyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 285
References: 4637
Patents: 219.08954 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]+	220.096816	147.0
[M+Na]+	242.078758	154.3
[M-H]-	218.082264	152.4
[M+NH4]+	237.123363	165.7
[M+K]+	258.052698	152.4
[M+H-H2O]+	202.086800	139.8
[M+HCOO]-	264.087741	168.7
[M+CH3COO]-	278.103391	186.1
[M+Na-2H]-	240.064206	149.1
[M]+	219.08899142	146.8
[M]-	219.09008858	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe