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]+ 223.21688 147.9
[M+Na]+ 245.19882 153.9
[M-H]- 221.20232 154.6
[M+NH4]+ 240.24342 167.3
[M+K]+ 261.17276 142.3
[M+H-H2O]+ 205.20686 147.6
[M+HCOO]- 267.20780 171.5
[M+CH3COO]- 281.22345 191.3
[M+Na-2H]- 243.18427 160.7
[M]+ 222.20905 147.9
[M]- 222.21015 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