CID 3077956

136410-25-8

Structural Information

Molecular Formula

C₁₉H₂₇NO₃

SMILES

CCCCCCCCOC1CCC(=O)N1C(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H27NO3/c1-2-3-4-5-6-10-15-23-18-14-13-17(21)20(18)19(22)16-11-8-7-9-12-16/h7-9,11-12,18H,2-6,10,13-15H2,1H3

InChIKey

RIBAFJIFKVCLEB-UHFFFAOYSA-N

Compound name

1-benzoyl-5-octoxypyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 317.1991 Da
Monoisotopic Mass: 4.7
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]+	318.206376	179.2
[M+Na]+	340.188318	183.4
[M-H]-	316.191824	183.3
[M+NH4]+	335.232923	193.8
[M+K]+	356.162258	179.8
[M+H-H2O]+	300.196360	170.6
[M+HCOO]-	362.197301	198.5
[M+CH3COO]-	376.212951	207.0
[M+Na-2H]-	338.173766	177.5
[M]+	317.19855142	181.4
[M]-	317.19964858	181.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe