CID 3077975

Brn 4756040

Structural Information

Molecular Formula

C₂₀H₃₁NO₂

SMILES

CCCCCCCCCOC1CCC(=O)N1CC2=CC=CC=C2

InChI

InChI=1S/C20H31NO2/c1-2-3-4-5-6-7-11-16-23-20-15-14-19(22)21(20)17-18-12-9-8-10-13-18/h8-10,12-13,20H,2-7,11,14-17H2,1H3

InChIKey

VJCOGGRKMXCMJU-UHFFFAOYSA-N

Compound name

1-benzyl-5-nonoxypyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 317.23547 Da
Monoisotopic Mass: 5.3
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]+	318.24275	181.3
[M+Na]+	340.22469	185.1
[M-H]-	316.22819	184.9
[M+NH4]+	335.26929	196.0
[M+K]+	356.19863	180.7
[M+H-H2O]+	300.23273	172.4
[M+HCOO]-	362.23367	200.8
[M+CH3COO]-	376.24932	208.6
[M+Na-2H]-	338.21014	180.1
[M]+	317.23492	183.8
[M]-	317.23602	183.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe