CID 7740

105-18-0

Structural Information

Molecular Formula

C₁₂H₂₄N₂

SMILES

CCN(CC)CC#CCN(CC)CC

InChI

InChI=1S/C12H24N2/c1-5-13(6-2)11-9-10-12-14(7-3)8-4/h5-8,11-12H2,1-4H3

InChIKey

ZSHOGSSMVWJOGA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 22
Patents: 196.19395 Da
Monoisotopic Mass: 1.8
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]+	197.20123	148.3
[M+Na]+	219.18317	154.3
[M-H]-	195.18667	149.6
[M+NH4]+	214.22777	166.4
[M+K]+	235.15711	154.1
[M+H-H2O]+	179.19121	135.9
[M+HCOO]-	241.19215	167.4
[M+CH3COO]-	255.20780	205.4
[M+Na-2H]-	217.16862	150.7
[M]+	196.19340	146.3
[M]-	196.19450	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe