CID 3077943

Brn 4755542

Structural Information

Molecular Formula

C₁₆H₂₁NO₃

SMILES

CCCCCOC1CCC(=O)N1C(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H21NO3/c1-2-3-7-12-20-15-11-10-14(18)17(15)16(19)13-8-5-4-6-9-13/h4-6,8-9,15H,2-3,7,10-12H2,1H3

InChIKey

BIVKELXEBMGXEO-UHFFFAOYSA-N

Compound name

1-benzoyl-5-pentoxypyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 275.15213 Da
Monoisotopic Mass: 3.0
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]+	276.15941	166.5
[M+Na]+	298.14135	176.9
[M+NH4]+	293.18595	173.1
[M+K]+	314.11529	172.3
[M-H]-	274.14485	168.2
[M+Na-2H]-	296.12680	171.0
[M]+	275.15158	168.1
[M]-	275.15268	168.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe