CID 60635040

1328595-12-5

Structural Information

Molecular Formula

C₉H₁₆N₂O₂

SMILES

CC(=O)NCCC(=O)N1CCCC1

InChI

InChI=1S/C9H16N2O2/c1-8(12)10-5-4-9(13)11-6-2-3-7-11/h2-7H2,1H3,(H,10,12)

InChIKey

CLBZGTKOMXLQTF-UHFFFAOYSA-N

Compound name

N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 184.12119 Da
Monoisotopic Mass: -0.5
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]+	185.12847	143.6
[M+Na]+	207.11041	148.0
[M-H]-	183.11391	145.0
[M+NH4]+	202.15501	163.1
[M+K]+	223.08435	147.4
[M+H-H2O]+	167.11845	136.7
[M+HCOO]-	229.11939	164.5
[M+CH3COO]-	243.13504	182.2
[M+Na-2H]-	205.09586	145.2
[M]+	184.12064	141.0
[M]-	184.12174	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe