CID 103570

5-oxo-n,n-dipentylpyrrolidine-2-carboxamide

Structural Information

Molecular Formula

C₁₅H₂₈N₂O₂

SMILES

CCCCCN(CCCCC)C(=O)C1CCC(=O)N1

InChI

InChI=1S/C15H28N2O2/c1-3-5-7-11-17(12-8-6-4-2)15(19)13-9-10-14(18)16-13/h13H,3-12H2,1-2H3,(H,16,18)

InChIKey

PVKBSNQSHLPBAK-UHFFFAOYSA-N

Compound name

5-oxo-N,N-dipentylpyrrolidine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 268.2151 Da
Monoisotopic Mass: 2.8
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]+	269.222376	170.0
[M+Na]+	291.204318	172.7
[M-H]-	267.207824	170.7
[M+NH4]+	286.248923	186.4
[M+K]+	307.178258	170.6
[M+H-H2O]+	251.212360	162.4
[M+HCOO]-	313.213301	188.9
[M+CH3COO]-	327.228951	202.1
[M+Na-2H]-	289.189766	168.0
[M]+	268.21455142	170.1
[M]-	268.21564858	170.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.