CID 66983

N,n'-diethylbut-2-ynylenediamine

Structural Information

Molecular Formula

C₈H₁₆N₂

SMILES

CCNCC#CCNCC

InChI

InChI=1S/C8H16N2/c1-3-9-7-5-6-8-10-4-2/h9-10H,3-4,7-8H2,1-2H3

InChIKey

DHLUQZDOGQUIOO-UHFFFAOYSA-N

Compound name

N,N'-diethylbut-2-yne-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 58
Patents: 140.13135 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]+	141.138626	131.9
[M+Na]+	163.120568	139.1
[M-H]-	139.124074	131.2
[M+NH4]+	158.165173	150.9
[M+K]+	179.094508	137.5
[M+H-H2O]+	123.128610	120.6
[M+HCOO]-	185.129551	151.3
[M+CH3COO]-	199.145201	188.2
[M+Na-2H]-	161.106016	137.6
[M]+	140.13080142	126.3
[M]-	140.13189858	126.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe