CID 52143

Ammonium, (2-butynylene)bis(triethyl-, 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]+ 255.279476 165.7
[M+Na]+ 277.261418 171.5
[M-H]- 253.264924 167.4
[M+NH4]+ 272.306023 181.9
[M+K]+ 293.235358 160.4
[M+H-H2O]+ 237.269460 159.3
[M+HCOO]- 299.270401 181.7
[M+CH3COO]- 313.286051 204.6
[M+Na-2H]- 275.246866 173.6
[M]+ 254.27165142 162.2
[M]- 254.27274858 162.2
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.