CID 295976

Methyl[2-(pyrrolidin-1-yl)ethyl]amine

Structural Information

Molecular Formula

C₇H₁₆N₂

SMILES

CNCCN1CCCC1

InChI

InChI=1S/C7H16N2/c1-8-4-7-9-5-2-3-6-9/h8H,2-7H2,1H3

InChIKey

GYGYDOOXVKDZCF-UHFFFAOYSA-N

Compound name

N-methyl-2-pyrrolidin-1-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1703
Patents: 128.13135 Da
Monoisotopic Mass: 0.6
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	129.2
[M+Na]+	151.120568	134.3
[M-H]-	127.124074	130.6
[M+NH4]+	146.165173	151.2
[M+K]+	167.094508	133.6
[M+H-H2O]+	111.128610	122.5
[M+HCOO]-	173.129551	151.8
[M+CH3COO]-	187.145201	173.6
[M+Na-2H]-	149.106016	134.4
[M]+	128.13080142	125.8
[M]-	128.13189858	125.8

Literature stripe

literature stripe

Patent stripe

patents stripe