CID 3048016

4,4'-methyliminodiethylenebis(4-methylmorpholinium) dibromide

Structural Information

Molecular Formula
C15H33N3O2
SMILES
CN(CC[N+]1(CCOCC1)C)CC[N+]2(CCOCC2)C
InChI
InChI=1S/C15H33N3O2/c1-16(4-6-17(2)8-12-19-13-9-17)5-7-18(3)10-14-20-15-11-18/h4-15H2,1-3H3/q+2
InChIKey
VVZUAHHRBJCQHW-UHFFFAOYSA-N
Compound name
N-methyl-2-(4-methylmorpholin-4-ium-4-yl)-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.25726 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.264536 167.3
[M+Na]+ 310.246478 167.9
[M-H]- 286.249984 171.7
[M+NH4]+ 305.291083 180.6
[M+K]+ 326.220418 158.8
[M+H-H2O]+ 270.254520 163.6
[M+HCOO]- 332.255461 179.0
[M+CH3COO]- 346.271111 192.0
[M+Na-2H]- 308.231926 176.8
[M]+ 287.25671142 160.9
[M]- 287.25780858 160.9
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.