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
4
Annotation Hits

1
References

26
Patents

196.19395 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.