CID 20715741

2825011-39-8

Structural Information

Molecular Formula

C₇H₁₄N₂O

SMILES

CC(=O)N1CCC(C1)NC

InChI

InChI=1S/C7H14N2O/c1-6(10)9-4-3-7(5-9)8-2/h7-8H,3-5H2,1-2H3

InChIKey

QZMBUDHSQIZKPE-UHFFFAOYSA-N

Compound name

1-[3-(methylamino)pyrrolidin-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 142.11061 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]+	143.11789	131.6
[M+Na]+	165.09983	137.8
[M-H]-	141.10333	133.6
[M+NH4]+	160.14443	153.4
[M+K]+	181.07377	137.4
[M+H-H2O]+	125.10787	125.4
[M+HCOO]-	187.10881	153.8
[M+CH3COO]-	201.12446	176.0
[M+Na-2H]-	163.08528	134.9
[M]+	142.11006	128.7
[M]-	142.11116	128.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe