CID 4684814

1173022-96-2

Structural Information

Molecular Formula

C₇H₁₉N₃

SMILES

CCCNCCNCCN

InChI

InChI=1S/C7H19N3/c1-2-4-9-6-7-10-5-3-8/h9-10H,2-8H2,1H3

InChIKey

IPMWIVQWGGRTLD-UHFFFAOYSA-N

Compound name

N'-[2-(propylamino)ethyl]ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 465
Patents: 145.1579 Da
Monoisotopic Mass: -0.7
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]+	146.16518	133.5
[M+Na]+	168.14712	140.6
[M+NH4]+	163.19172	140.9
[M+K]+	184.12106	135.0
[M-H]-	144.15062	134.6
[M+Na-2H]-	166.13257	137.0
[M]+	145.15735	134.3
[M]-	145.15845	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe