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]+ 288.26454 167.3
[M+Na]+ 310.24648 167.9
[M-H]- 286.24998 171.7
[M+NH4]+ 305.29108 180.6
[M+K]+ 326.22042 158.8
[M+H-H2O]+ 270.25452 163.6
[M+HCOO]- 332.25546 179.0
[M+CH3COO]- 346.27111 192.0
[M+Na-2H]- 308.23193 176.8
[M]+ 287.25671 160.9
[M]- 287.25781 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.