CID 3066156

506 hc

Structural Information

Molecular Formula
C16H34N2O4
SMILES
C[N+]1(CCOCC1)CCOCCOCC[N+]2(CCOCC2)C
InChI
InChI=1S/C16H34N2O4/c1-17(3-9-19-10-4-17)7-13-21-15-16-22-14-8-18(2)5-11-20-12-6-18/h3-16H2,1-2H3/q+2
InChIKey
QDVXAGSFKJPKRI-UHFFFAOYSA-N
Compound name
4-methyl-4-[2-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethoxy]ethyl]morpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.25186 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.25914 176.4
[M+Na]+ 341.24108 177.0
[M-H]- 317.24458 179.2
[M+NH4]+ 336.28568 187.9
[M+K]+ 357.21502 167.5
[M+H-H2O]+ 301.24912 172.5
[M+HCOO]- 363.25006 186.5
[M+CH3COO]- 377.26571 190.9
[M+Na-2H]- 339.22653 185.8
[M]+ 318.25131 172.6
[M]- 318.25241 172.6
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.