CID 90250

N-propyl-1,3-propanediamine

Structural Information

Molecular Formula

C₆H₁₆N₂

SMILES

CCCNCCCN

InChI

InChI=1S/C6H16N2/c1-2-5-8-6-3-4-7/h8H,2-7H2,1H3

InChIKey

OWKYZAGJTTTXOK-UHFFFAOYSA-N

Compound name

N'-propylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1690
Patents: 116.13135 Da
Monoisotopic Mass: 0.1
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]+	117.13863	125.5
[M+Na]+	139.12057	134.1
[M+NH4]+	134.16517	133.7
[M+K]+	155.09451	128.3
[M-H]-	115.12407	126.4
[M+Na-2H]-	137.10602	129.6
[M]+	116.13080	126.6
[M]-	116.13190	126.6

Literature stripe

literature stripe

Patent stripe

patents stripe