CID 116276

64038-79-5

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]+ 315.30061 178.8
[M+Na]+ 337.28255 178.9
[M-H]- 313.28605 181.3
[M+NH4]+ 332.32715 190.7
[M+K]+ 353.25649 167.9
[M+H-H2O]+ 297.29059 174.8
[M+HCOO]- 359.29153 188.0
[M+CH3COO]- 373.30718 193.0
[M+Na-2H]- 335.26800 186.7
[M]+ 314.29278 173.0
[M]- 314.29388 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.