CID 44198

(n,n'-pentamethylenedioxydiethylene)bis(dimethylethylammonium iodide)

Structural Information

Molecular Formula
C17H40N2O2
SMILES
CC[N+](C)(C)CCOCCCCCOCC[N+](C)(C)CC
InChI
InChI=1S/C17H40N2O2/c1-7-18(3,4)12-16-20-14-10-9-11-15-21-17-13-19(5,6)8-2/h7-17H2,1-6H3/q+2
InChIKey
CNTNQKBLOAMIIR-UHFFFAOYSA-N
Compound name
ethyl-[2-[5-[2-[ethyl(dimethyl)azaniumyl]ethoxy]pentoxy]ethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.309 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.31628 176.6
[M+Na]+ 327.29822 179.4
[M-H]- 303.30172 178.7
[M+NH4]+ 322.34282 220.3
[M+K]+ 343.27216 168.5
[M+H-H2O]+ 287.30626 175.9
[M+HCOO]- 349.30720 242.2
[M+CH3COO]- 363.32285 207.8
[M+Na-2H]- 325.28367 186.3
[M]+ 304.30845 182.5
[M]- 304.30955 182.5
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.