CID 76888

N-isopropyl-1,3-propanediamine

Structural Information

Molecular Formula

C₆H₁₆N₂

SMILES

CC(C)NCCCN

InChI

InChI=1S/C6H16N2/c1-6(2)8-5-3-4-7/h6,8H,3-5,7H2,1-2H3

InChIKey

KFDIDIIKNMZLRZ-UHFFFAOYSA-N

Compound name

N'-propan-2-ylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1550
Patents: 116.13135 Da
Monoisotopic Mass: 0.0
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	126.3
[M+Na]+	139.12057	134.6
[M+NH4]+	134.16517	134.4
[M+K]+	155.09451	129.6
[M-H]-	115.12407	127.1
[M+Na-2H]-	137.10602	130.0
[M]+	116.13080	127.3
[M]-	116.13190	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe