CID 19744

Octamethylenebis(trimethylammonium iodide)

Structural Information

Molecular Formula
C14H34N2
SMILES
C[N+](C)(C)CCCCCCCC[N+](C)(C)C
InChI
InChI=1S/C14H34N2/c1-15(2,3)13-11-9-7-8-10-12-14-16(4,5)6/h7-14H2,1-6H3/q+2
InChIKey
XDZILQXNIZCEDV-UHFFFAOYSA-N
Compound name
trimethyl-[8-(trimethylazaniumyl)octyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

230.2722 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.27948 157.7
[M+Na]+ 253.26142 170.2
[M+NH4]+ 248.30602 167.8
[M+K]+ 269.23536 164.5
[M-H]- 229.26492 162.3
[M+Na-2H]- 251.24687 163.7
[M]+ 230.27165 161.6
[M]- 230.27275 161.6
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

patents stripe