CID 116286

Morpholinium, 4,4'-oxydiethylenebis(4-ethyl-, dibromide

Structural Information

Molecular Formula
C16H34N2O3
SMILES
CC[N+]1(CCOCC1)CCOCC[N+]2(CCOCC2)CC
InChI
InChI=1S/C16H34N2O3/c1-3-17(5-11-19-12-6-17)9-15-21-16-10-18(4-2)7-13-20-14-8-18/h3-16H2,1-2H3/q+2
InChIKey
GPDFFOFZYUJOAS-UHFFFAOYSA-N
Compound name
4-ethyl-4-[2-[2-(4-ethylmorpholin-4-ium-4-yl)ethoxy]ethyl]morpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

302.25696 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.26424 173.2
[M+Na]+ 325.24618 174.1
[M-H]- 301.24968 176.2
[M+NH4]+ 320.29078 185.6
[M+K]+ 341.22012 164.0
[M+H-H2O]+ 285.25422 169.5
[M+HCOO]- 347.25516 183.3
[M+CH3COO]- 361.27081 189.0
[M+Na-2H]- 323.23163 182.5
[M]+ 302.25641 168.1
[M]- 302.25751 168.1
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

patents stripe