CID 45649

Ammonium, (p-trimethylammonio)benzyltrimethyl-, diiodide

Structural Information

Molecular Formula
C13H24N2
SMILES
C[N+](C)(C)CC1=CC=C(C=C1)[N+](C)(C)C
InChI
InChI=1S/C13H24N2/c1-14(2,3)11-12-7-9-13(10-8-12)15(4,5)6/h7-10H,11H2,1-6H3/q+2
InChIKey
VKGNROKUWDHLNS-UHFFFAOYSA-N
Compound name
trimethyl-[4-[(trimethylazaniumyl)methyl]phenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.19395 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.20123 143.0
[M+Na]+ 231.18317 149.4
[M-H]- 207.18667 149.9
[M+NH4]+ 226.22777 163.0
[M+K]+ 247.15711 138.1
[M+H-H2O]+ 191.19121 142.9
[M+HCOO]- 253.19215 166.9
[M+CH3COO]- 267.20780 188.3
[M+Na-2H]- 229.16862 156.3
[M]+ 208.19340 142.7
[M]- 208.19450 142.7
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.