CID 129397

106692-36-8

Structural Information

Molecular Formula

C₉H₁₆N₂O₂

SMILES

CC(=O)NCCCN1CCCC1=O

InChI

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

InChIKey

OAUYENAPBFTAQT-UHFFFAOYSA-N

Compound name

N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 175
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]+	185.128466	142.3
[M+Na]+	207.110408	147.8
[M-H]-	183.113914	143.9
[M+NH4]+	202.155013	162.1
[M+K]+	223.084348	146.7
[M+H-H2O]+	167.118450	135.6
[M+HCOO]-	229.119391	164.2
[M+CH3COO]-	243.135041	183.2
[M+Na-2H]-	205.095856	144.6
[M]+	184.12064142	140.8
[M]-	184.12173858	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe