CID 98388

2-(2-aminoethyl)-1-methylpyrrolidine

Structural Information

Molecular Formula

C₇H₁₆N₂

SMILES

CN1CCCC1CCN

InChI

InChI=1S/C7H16N2/c1-9-6-2-3-7(9)4-5-8/h7H,2-6,8H2,1H3

InChIKey

PNHGJPJOMCXSKN-UHFFFAOYSA-N

Compound name

2-(1-methylpyrrolidin-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2798
Patents: 128.13135 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]+	129.138626	129.4
[M+Na]+	151.120568	135.5
[M-H]-	127.124074	130.6
[M+NH4]+	146.165173	151.5
[M+K]+	167.094508	134.4
[M+H-H2O]+	111.128610	123.1
[M+HCOO]-	173.129551	151.4
[M+CH3COO]-	187.145201	174.0
[M+Na-2H]-	149.106016	132.8
[M]+	128.13080142	125.4
[M]-	128.13189858	125.4

Literature stripe

literature stripe

Patent stripe

patents stripe