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: 1818
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	126.8
[M+Na]+	139.12057	132.3
[M-H]-	115.12407	126.4
[M+NH4]+	134.16517	148.7
[M+K]+	155.09451	131.6
[M+H-H2O]+	99.128610	121.6
[M+HCOO]-	161.12955	151.9
[M+CH3COO]-	175.14520	176.2
[M+Na-2H]-	137.10602	133.2
[M]+	116.13080	125.4
[M]-	116.13190	125.4

Literature stripe

literature stripe

Patent stripe

patents stripe