CID 30532

(2-hydroxyethyl)triethylammonium iodide succinate (2:1)

Structural Information

Molecular Formula
C20H42N2O4
SMILES
CC[N+](CC)(CC)CCOC(=O)CCC(=O)OCC[N+](CC)(CC)CC
InChI
InChI=1S/C20H42N2O4/c1-7-21(8-2,9-3)15-17-25-19(23)13-14-20(24)26-18-16-22(10-4,11-5)12-6/h7-18H2,1-6H3/q+2
InChIKey
SCLMSEBLMBGBPT-UHFFFAOYSA-N
Compound name
triethyl-[2-[4-oxo-4-[2-(triethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.31445 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.32173 221.9
[M+Na]+ 397.30367 231.0
[M-H]- 373.30717 222.5
[M+NH4]+ 392.34827 228.1
[M+K]+ 413.27761 223.2
[M+H-H2O]+ 357.31171 212.0
[M+HCOO]- 419.31265 240.9
[M+CH3COO]- 433.32830 217.3
[M+Na-2H]- 395.28912 212.8
[M]+ 374.31390 221.8
[M]- 374.31500 221.8
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.