CID 7131536

Dtxsid40660041

Structural Information

Molecular Formula

C₇H₁₄N₂O

SMILES

CNCC(=O)N1CCCC1

InChI

InChI=1S/C7H14N2O/c1-8-6-7(10)9-4-2-3-5-9/h8H,2-6H2,1H3

InChIKey

ZCPADTVDGNXMOD-UHFFFAOYSA-N

Compound name

2-(methylamino)-1-pyrrolidin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 78
Patents: 142.11061 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]+	143.11789	132.0
[M+Na]+	165.09983	137.3
[M-H]-	141.10333	133.6
[M+NH4]+	160.14443	153.4
[M+K]+	181.07377	136.9
[M+H-H2O]+	125.10787	125.5
[M+HCOO]-	187.10881	154.2
[M+CH3COO]-	201.12446	174.8
[M+Na-2H]-	163.08528	136.0
[M]+	142.11006	128.7
[M]-	142.11116	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe