CID 28596867

7-(pyrrolidin-1-yl)heptan-1-amine

Structural Information

Molecular Formula

C₁₁H₂₄N₂

SMILES

C1CCN(C1)CCCCCCCN

InChI

InChI=1S/C11H24N2/c12-8-4-2-1-3-5-9-13-10-6-7-11-13/h1-12H2

InChIKey

IDBMSBDOLQSCEW-UHFFFAOYSA-N

Compound name

7-pyrrolidin-1-ylheptan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 184.19395 Da
Monoisotopic Mass: 1.8
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]+	185.201226	147.5
[M+Na]+	207.183168	150.9
[M-H]-	183.186674	147.6
[M+NH4]+	202.227773	167.0
[M+K]+	223.157108	148.8
[M+H-H2O]+	167.191210	140.0
[M+HCOO]-	229.192151	168.2
[M+CH3COO]-	243.207801	185.1
[M+Na-2H]-	205.168616	149.5
[M]+	184.19340142	144.6
[M]-	184.19449858	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.