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]+ 197.201226 148.3
[M+Na]+ 219.183168 154.3
[M-H]- 195.186674 149.6
[M+NH4]+ 214.227773 166.4
[M+K]+ 235.157108 154.1
[M+H-H2O]+ 179.191210 135.9
[M+HCOO]- 241.192151 167.4
[M+CH3COO]- 255.207801 205.4
[M+Na-2H]- 217.168616 150.7
[M]+ 196.19340142 146.3
[M]- 196.19449858 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

literature stripe

Patent stripe

patents stripe