CID 28110

(p-phenylenedimethylene)bis(trimethylammonium bromide)

Structural Information

Molecular Formula
C14H26N2
SMILES
C[N+](C)(C)CC1=CC=C(C=C1)C[N+](C)(C)C
InChI
InChI=1S/C14H26N2/c1-15(2,3)11-13-7-9-14(10-8-13)12-16(4,5)6/h7-10H,11-12H2,1-6H3/q+2
InChIKey
USZFVRYCAHSOOX-UHFFFAOYSA-N
Compound name
trimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

222.2096 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.216876 147.9
[M+Na]+ 245.198818 153.9
[M-H]- 221.202324 154.6
[M+NH4]+ 240.243423 167.3
[M+K]+ 261.172758 142.3
[M+H-H2O]+ 205.206860 147.6
[M+HCOO]- 267.207801 171.5
[M+CH3COO]- 281.223451 191.3
[M+Na-2H]- 243.184266 160.7
[M]+ 222.20905142 147.9
[M]- 222.21014858 147.9
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