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

170
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 155.0
[M+Na]+ 253.26142 159.1
[M-H]- 229.26492 157.7
[M+NH4]+ 248.30602 174.2
[M+K]+ 269.23536 148.3
[M+H-H2O]+ 213.26946 155.3
[M+HCOO]- 275.27040 177.1
[M+CH3COO]- 289.28605 195.4
[M+Na-2H]- 251.24687 165.9
[M]+ 230.27165 157.1
[M]- 230.27275 157.1
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