CID 52143

(2-butynylene)bis(triethylammonium) dichloride

Structural Information

Molecular Formula
C16H34N2
SMILES
CC[N+](CC)(CC)CC#CC[N+](CC)(CC)CC
InChI
InChI=1S/C16H34N2/c1-7-17(8-2,9-3)15-13-14-16-18(10-4,11-5)12-6/h7-12,15-16H2,1-6H3/q+2
InChIKey
XLJLFPODYOZRHG-UHFFFAOYSA-N
Compound name
triethyl-[4-(triethylazaniumyl)but-2-ynyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.2722 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.27948 162.6
[M+Na]+ 277.26142 174.4
[M+NH4]+ 272.30602 168.6
[M+K]+ 293.23536 165.7
[M-H]- 253.26492 158.9
[M+Na-2H]- 275.24687 165.2
[M]+ 254.27165 163.2
[M]- 254.27275 163.2
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.