CID 45768

Ammonium, (2-(p-ethoxyphenoxy)ethyl)triethyl-, iodide

Structural Information

Molecular Formula
C16H28NO2
SMILES
CC[N+](CC)(CC)CCOC1=CC=C(C=C1)OCC
InChI
InChI=1S/C16H28NO2/c1-5-17(6-2,7-3)13-14-19-16-11-9-15(10-12-16)18-8-4/h9-12H,5-8,13-14H2,1-4H3/q+1
InChIKey
JZNNGBRAYCXJDB-UHFFFAOYSA-N
Compound name
2-(4-ethoxyphenoxy)ethyl-triethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.212 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.21928 165.6
[M+Na]+ 289.20122 170.8
[M-H]- 265.20472 170.1
[M+NH4]+ 284.24582 182.9
[M+K]+ 305.17516 163.7
[M+H-H2O]+ 249.20926 161.4
[M+HCOO]- 311.21020 188.8
[M+CH3COO]- 325.22585 198.9
[M+Na-2H]- 287.18667 173.2
[M]+ 266.21145 170.3
[M]- 266.21255 170.3
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.