CID 79725

N-(piperidinoethyl)ethylenediamine

Structural Information

Molecular Formula

C₉H₂₁N₃

SMILES

C1CCN(CC1)CCNCCN

InChI

InChI=1S/C9H21N3/c10-4-5-11-6-9-12-7-2-1-3-8-12/h11H,1-10H2

InChIKey

QOAHNQKCWITUJK-UHFFFAOYSA-N

Compound name

N'-(2-piperidin-1-ylethyl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 335
Patents: 171.17355 Da
Monoisotopic Mass: 0.3
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]+	172.180826	141.0
[M+Na]+	194.162768	143.5
[M-H]-	170.166274	141.1
[M+NH4]+	189.207373	158.8
[M+K]+	210.136708	141.8
[M+H-H2O]+	154.170810	133.5
[M+HCOO]-	216.171751	161.3
[M+CH3COO]-	230.187401	184.2
[M+Na-2H]-	192.148216	145.8
[M]+	171.17300142	134.5
[M]-	171.17409858	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe