CID 47123

64058-08-8

Structural Information

Molecular Formula
C17H34N2O
SMILES
C[N+]1(CCOCC1)CCC[N+]2(CC3CCCC(C3)C2)C
InChI
InChI=1S/C17H34N2O/c1-18(9-11-20-12-10-18)7-4-8-19(2)14-16-5-3-6-17(13-16)15-19/h16-17H,3-15H2,1-2H3/q+2
InChIKey
FXKIHFQLYUGKPW-UHFFFAOYSA-N
Compound name
4-methyl-4-[3-(3-methyl-3-azoniabicyclo[3.3.1]nonan-3-yl)propyl]morpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.26712 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.274396 169.9
[M+Na]+ 305.256338 170.9
[M-H]- 281.259844 171.4
[M+NH4]+ 300.300943 185.9
[M+K]+ 321.230278 158.1
[M+H-H2O]+ 265.264380 165.5
[M+HCOO]- 327.265321 176.7
[M+CH3COO]- 341.280971 188.6
[M+Na-2H]- 303.241786 178.1
[M]+ 282.26657142 159.8
[M]- 282.26766858 159.8
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.