CID 31670

23159-07-1

Structural Information

Molecular Formula

C₇H₁₆N₂

SMILES

C1CCN(C1)CCCN

InChI

InChI=1S/C7H16N2/c8-4-3-7-9-5-1-2-6-9/h1-8H2

InChIKey

VPBWZBGZWHDNKL-UHFFFAOYSA-N

Compound name

3-pyrrolidin-1-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 3996
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	129.5
[M+Na]+	151.120568	134.6
[M-H]-	127.124074	130.3
[M+NH4]+	146.165173	151.2
[M+K]+	167.094508	133.6
[M+H-H2O]+	111.128610	122.9
[M+HCOO]-	173.129551	151.5
[M+CH3COO]-	187.145201	172.9
[M+Na-2H]-	149.106016	133.6
[M]+	128.13080142	125.1
[M]-	128.13189858	125.1

Literature stripe

literature stripe

Patent stripe

patents stripe