CID 40571027

3-(methylamino)-1-(pyrrolidin-1-yl)propan-1-one hydrochloride

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

CNCCC(=O)N1CCCC1

InChI

InChI=1S/C8H16N2O/c1-9-5-4-8(11)10-6-2-3-7-10/h9H,2-7H2,1H3

InChIKey

JULDFZJMONRCBR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 156.12627 Da
Monoisotopic Mass: -0.3
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]+	157.133546	136.6
[M+Na]+	179.115488	141.4
[M-H]-	155.118994	138.0
[M+NH4]+	174.160093	157.4
[M+K]+	195.089428	140.7
[M+H-H2O]+	139.123530	129.8
[M+HCOO]-	201.124471	158.4
[M+CH3COO]-	215.140121	177.9
[M+Na-2H]-	177.100936	140.0
[M]+	156.12572142	133.7
[M]-	156.12681858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe