CID 57600

Ammonium, (m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(trimethyl-, diiodide

Structural Information

Molecular Formula
C18H34N2O4
SMILES
C[N+](C)(C)CC(COC1=CC(=CC=C1)OCC(C[N+](C)(C)C)O)O
InChI
InChI=1S/C18H34N2O4/c1-19(2,3)11-15(21)13-23-17-8-7-9-18(10-17)24-14-16(22)12-20(4,5)6/h7-10,15-16,21-22H,11-14H2,1-6H3/q+2
InChIKey
GQOYAJZPWVQOKB-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-[3-[2-hydroxy-3-(trimethylazaniumyl)propoxy]phenoxy]propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.25186 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.25914 179.5
[M+Na]+ 365.24108 181.8
[M-H]- 341.24458 182.6
[M+NH4]+ 360.28568 192.1
[M+K]+ 381.21502 170.5
[M+H-H2O]+ 325.24912 178.3
[M+HCOO]- 387.25006 197.6
[M+CH3COO]- 401.26571 206.3
[M+Na-2H]- 363.22653 188.0
[M]+ 342.25131 181.2
[M]- 342.25241 181.2
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.