CID 199598

2-pyrrolidinone, 1-(2-methoxybenzoyl)-

Structural Information

Molecular Formula

C₁₂H₁₃NO₃

SMILES

COC1=CC=CC=C1C(=O)N2CCCC2=O

InChI

InChI=1S/C12H13NO3/c1-16-10-6-3-2-5-9(10)12(15)13-8-4-7-11(13)14/h2-3,5-6H,4,7-8H2,1H3

InChIKey

CUFYYZZSHNVFBE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 219.08954 Da
Monoisotopic Mass: 1.2
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]+	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

No literature data available for this compound.

Patent stripe

patents stripe