CID 3041220

2-pyrrolidinone, 1-(4-aminobutyl)-

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

C1CC(=O)N(C1)CCCCN

InChI

InChI=1S/C8H16N2O/c9-5-1-2-6-10-7-3-4-8(10)11/h1-7,9H2

InChIKey

NJMVKNDAEBCSSC-UHFFFAOYSA-N

Compound name

1-(4-aminobutyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 156.12627 Da
Monoisotopic Mass: -0.4
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]+	157.13355	135.6
[M+Na]+	179.11549	141.5
[M-H]-	155.11899	136.7
[M+NH4]+	174.16009	156.4
[M+K]+	195.08943	140.0
[M+H-H2O]+	139.12353	129.0
[M+HCOO]-	201.12447	157.7
[M+CH3COO]-	215.14012	178.2
[M+Na-2H]-	177.10094	138.5
[M]+	156.12572	132.7
[M]-	156.12682	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.