CID 58763

Ammonium, 1,1,6,6-tetramethylhexamethylenebis(trimethyl-, diiodide

Structural Information

Molecular Formula
C16H38N2
SMILES
CC(C)(CCCCC(C)(C)[N+](C)(C)C)[N+](C)(C)C
InChI
InChI=1S/C16H38N2/c1-15(2,17(5,6)7)13-11-12-14-16(3,4)18(8,9)10/h11-14H2,1-10H3/q+2
InChIKey
OBTUCYODXRVVPK-UHFFFAOYSA-N
Compound name
[2,7-dimethyl-7-(trimethylazaniumyl)octan-2-yl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.3035 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.310776 157.4
[M+Na]+ 281.292718 161.7
[M-H]- 257.296224 160.6
[M+NH4]+ 276.337323 175.8
[M+K]+ 297.266658 151.6
[M+H-H2O]+ 241.300760 158.8
[M+HCOO]- 303.301701 175.9
[M+CH3COO]- 317.317351 202.1
[M+Na-2H]- 279.278166 170.4
[M]+ 258.30295142 159.2
[M]- 258.30404858 159.2
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.