CID 78302

N,n,n'-trimethyl-1,3-propanediamine

Structural Information

Molecular Formula

C₆H₁₆N₂

SMILES

CNCCCN(C)C

InChI

InChI=1S/C6H16N2/c1-7-5-4-6-8(2)3/h7H,4-6H2,1-3H3

InChIKey

SORARJZLMNRBAQ-UHFFFAOYSA-N

Compound name

N,N',N'-trimethylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3769
Patents: 116.13135 Da
Monoisotopic Mass: 0.2
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	127.1
[M+Na]+	139.120568	132.7
[M-H]-	115.124074	128.7
[M+NH4]+	134.165173	149.9
[M+K]+	155.094508	133.9
[M+H-H2O]+	99.128610	121.6
[M+HCOO]-	161.129551	153.3
[M+CH3COO]-	175.145201	180.4
[M+Na-2H]-	137.106016	133.8
[M]+	116.13080142	128.0
[M]-	116.13189858	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe