CID 45651

Ammonium, (4-(p-trimethylammoniophenyl)butyl)trimethyl-, diiodide

Structural Information

Molecular Formula
C16H30N2
SMILES
C[N+](C)(C)CCCCC1=CC=C(C=C1)[N+](C)(C)C
InChI
InChI=1S/C16H30N2/c1-17(2,3)14-8-7-9-15-10-12-16(13-11-15)18(4,5)6/h10-13H,7-9,14H2,1-6H3/q+2
InChIKey
ZSFUSXRJLJAKNP-UHFFFAOYSA-N
Compound name
trimethyl-[4-[4-(trimethylazaniumyl)butyl]phenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.2409 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.24818 160.3
[M+Na]+ 273.23012 175.6
[M+NH4]+ 268.27472 171.4
[M+K]+ 289.20406 169.3
[M-H]- 249.23362 167.7
[M+Na-2H]- 271.21557 169.8
[M]+ 250.24035 165.6
[M]- 250.24145 165.6
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

No patent data available for this compound.