CID 522715

3-acetamidopyrrolidine

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

CC(=O)NC1CCNC1

InChI

InChI=1S/C6H12N2O/c1-5(9)8-6-2-3-7-4-6/h6-7H,2-4H2,1H3,(H,8,9)

InChIKey

HDCCJUCOIKLZNM-UHFFFAOYSA-N

Compound name

N-pyrrolidin-3-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1923
Patents: 128.09496 Da
Monoisotopic Mass: -0.7
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]+	129.10224	128.2
[M+Na]+	151.08418	133.4
[M-H]-	127.08768	128.5
[M+NH4]+	146.12878	149.3
[M+K]+	167.05812	132.3
[M+H-H2O]+	111.09222	122.0
[M+HCOO]-	173.09316	149.1
[M+CH3COO]-	187.10881	169.2
[M+Na-2H]-	149.06963	132.1
[M]+	128.09441	122.5
[M]-	128.09551	122.5

Literature stripe

literature stripe

Patent stripe

patents stripe