CID 82646899

2413869-82-4

Structural Information

Molecular Formula

C₇H₁₄N₂O

SMILES

CN1CCC(C1=O)CCN

InChI

InChI=1S/C7H14N2O/c1-9-5-3-6(2-4-8)7(9)10/h6H,2-5,8H2,1H3

InChIKey

SMOIILPSSUKBOZ-UHFFFAOYSA-N

Compound name

3-(2-aminoethyl)-1-methylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 142.11061 Da
Monoisotopic Mass: -0.8
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]+	143.117886	130.8
[M+Na]+	165.099828	138.2
[M-H]-	141.103334	132.5
[M+NH4]+	160.144433	152.6
[M+K]+	181.073768	136.8
[M+H-H2O]+	125.107870	124.8
[M+HCOO]-	187.108811	153.3
[M+CH3COO]-	201.124461	176.3
[M+Na-2H]-	163.085276	133.6
[M]+	142.11006142	128.0
[M]-	142.11115858	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe