CID 77063

4-dimethylaminobutylamine

Structural Information

Molecular Formula

C₆H₁₆N₂

SMILES

CN(C)CCCCN

InChI

InChI=1S/C6H16N2/c1-8(2)6-4-3-5-7/h3-7H2,1-2H3

InChIKey

GCOWZPRIMFGIDQ-UHFFFAOYSA-N

Compound name

N',N'-dimethylbutane-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 3799
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	127.4
[M+Na]+	139.120568	133.1
[M-H]-	115.124074	128.5
[M+NH4]+	134.165173	150.0
[M+K]+	155.094508	133.8
[M+H-H2O]+	99.128610	122.0
[M+HCOO]-	161.129551	153.1
[M+CH3COO]-	175.145201	179.7
[M+Na-2H]-	137.106016	133.0
[M]+	116.13080142	127.3
[M]-	116.13189858	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe