CID 3077962

136410-31-6

Structural Information

Molecular Formula

C₁₆H₂₃NO₂

SMILES

CCCCCOC1CCC(=O)N1CC2=CC=CC=C2

InChI

InChI=1S/C16H23NO2/c1-2-3-7-12-19-16-11-10-15(18)17(16)13-14-8-5-4-6-9-14/h4-6,8-9,16H,2-3,7,10-13H2,1H3

InChIKey

XKOHHZFUCYPIMA-UHFFFAOYSA-N

Compound name

1-benzyl-5-pentoxypyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 261.17288 Da
Monoisotopic Mass: 3.1
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]+	262.180156	163.2
[M+Na]+	284.162098	168.8
[M-H]-	260.165604	167.6
[M+NH4]+	279.206703	180.3
[M+K]+	300.136038	165.4
[M+H-H2O]+	244.170140	155.1
[M+HCOO]-	306.171081	184.1
[M+CH3COO]-	320.186731	196.7
[M+Na-2H]-	282.147546	164.2
[M]+	261.17233142	164.3
[M]-	261.17342858	164.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe