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 174.3
[M+Na]+ 323.26690 174.9
[M-H]- 299.27040 177.1
[M+NH4]+ 318.31150 186.8
[M+K]+ 339.24084 164.1
[M+H-H2O]+ 283.27494 170.5
[M+HCOO]- 345.27588 183.9
[M+CH3COO]- 359.29153 190.1
[M+Na-2H]- 321.25235 182.8
[M]+ 300.27713 168.2
[M]- 300.27823 168.2
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