CID 116276

Morpholinium, 4,4'-hexamethylenebis(4-ethyl-, diiodide

Structural Information

Molecular Formula
C18H38N2O2
SMILES
CC[N+]1(CCOCC1)CCCCCC[N+]2(CCOCC2)CC
InChI
InChI=1S/C18H38N2O2/c1-3-19(11-15-21-16-12-19)9-7-5-6-8-10-20(4-2)13-17-22-18-14-20/h3-18H2,1-2H3/q+2
InChIKey
HUVHIFOFLUMPMW-UHFFFAOYSA-N
Compound name
4-ethyl-4-[6-(4-ethylmorpholin-4-ium-4-yl)hexyl]morpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.29333 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.300606 178.8
[M+Na]+ 337.282548 178.9
[M-H]- 313.286054 181.3
[M+NH4]+ 332.327153 190.7
[M+K]+ 353.256488 167.9
[M+H-H2O]+ 297.290590 174.8
[M+HCOO]- 359.291531 188.0
[M+CH3COO]- 373.307181 193.0
[M+Na-2H]- 335.267996 186.7
[M]+ 314.29278142 173.0
[M]- 314.29387858 173.0
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.