CID 78920271

1479617-38-3

Structural Information

Molecular Formula

C₉H₁₈N₂O

SMILES

CN(C)CCC(=O)N1CCCC1

InChI

InChI=1S/C9H18N2O/c1-10(2)8-5-9(12)11-6-3-4-7-11/h3-8H2,1-2H3

InChIKey

ORGZAWGAULJLHQ-UHFFFAOYSA-N

Compound name

3-(dimethylamino)-1-pyrrolidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 170.1419 Da
Monoisotopic Mass: 0.2
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]+	171.149176	141.2
[M+Na]+	193.131118	145.7
[M-H]-	169.134624	143.9
[M+NH4]+	188.175723	162.1
[M+K]+	209.105058	146.2
[M+H-H2O]+	153.139160	134.1
[M+HCOO]-	215.140101	163.2
[M+CH3COO]-	229.155751	184.4
[M+Na-2H]-	191.116566	143.3
[M]+	170.14135142	139.9
[M]-	170.14244858	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe