CID 11051670

2-(pyrrolidin-1-yl)propan-1-amine

Structural Information

Molecular Formula

C₇H₁₆N₂

SMILES

CC(CN)N1CCCC1

InChI

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

InChIKey

GUHQLUWDOMXRGQ-UHFFFAOYSA-N

Compound name

2-pyrrolidin-1-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 123
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	130.4
[M+Na]+	151.120568	135.3
[M-H]-	127.124074	131.4
[M+NH4]+	146.165173	152.1
[M+K]+	167.094508	134.7
[M+H-H2O]+	111.128610	123.9
[M+HCOO]-	173.129551	151.5
[M+CH3COO]-	187.145201	173.7
[M+Na-2H]-	149.106016	133.3
[M]+	128.13080142	125.4
[M]-	128.13189858	125.4

Literature stripe

literature stripe

Patent stripe

patents stripe