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

3
Annotation Hits: 0
References: 1567
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]+	117.138626	128.0
[M+Na]+	139.120568	133.2
[M-H]-	115.124074	127.7
[M+NH4]+	134.165173	149.8
[M+K]+	155.094508	133.0
[M+H-H2O]+	99.128610	122.8
[M+HCOO]-	161.129551	152.1
[M+CH3COO]-	175.145201	177.0
[M+Na-2H]-	137.106016	133.0
[M]+	116.13080142	125.9
[M]-	116.13189858	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe