CID 15113277

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

Structural Information

Molecular Formula

C₉H₂₀N₂

SMILES

CCCNCCN1CCCC1

InChI

InChI=1S/C9H20N2/c1-2-5-10-6-9-11-7-3-4-8-11/h10H,2-9H2,1H3

InChIKey

ITEWBASAHQBZBQ-UHFFFAOYSA-N

Compound name

N-(2-pyrrolidin-1-ylethyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 156.16264 Da
Monoisotopic Mass: 1.2
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]+	157.169916	138.2
[M+Na]+	179.151858	142.5
[M-H]-	155.155364	139.2
[M+NH4]+	174.196463	159.1
[M+K]+	195.125798	141.3
[M+H-H2O]+	139.159900	131.2
[M+HCOO]-	201.160841	160.2
[M+CH3COO]-	215.176491	179.7
[M+Na-2H]-	177.137306	142.3
[M]+	156.16209142	135.6
[M]-	156.16318858	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe