CID 116321

64039-10-7

Structural Information

Molecular Formula
C17H36N2O2
SMILES
C[N+]1(CCOCC1)CCCCCCC[N+]2(CCOCC2)C
InChI
InChI=1S/C17H36N2O2/c1-18(10-14-20-15-11-18)8-6-4-3-5-7-9-19(2)12-16-21-17-13-19/h3-17H2,1-2H3/q+2
InChIKey
IUFWIRNIWMLGER-UHFFFAOYSA-N
Compound name
4-methyl-4-[7-(4-methylmorpholin-4-ium-4-yl)heptyl]morpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

300.27768 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.28496 175.7
[M+Na]+ 323.26690 189.3
[M+NH4]+ 318.31150 187.8
[M+K]+ 339.24084 179.5
[M-H]- 299.27040 184.1
[M+Na-2H]- 321.25235 183.5
[M]+ 300.27713 181.0
[M]- 300.27823 181.0
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

patents stripe