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]+ 283.27440 169.9
[M+Na]+ 305.25634 170.9
[M-H]- 281.25984 171.4
[M+NH4]+ 300.30094 185.9
[M+K]+ 321.23028 158.1
[M+H-H2O]+ 265.26438 165.5
[M+HCOO]- 327.26532 176.7
[M+CH3COO]- 341.28097 188.6
[M+Na-2H]- 303.24179 178.1
[M]+ 282.26657 159.8
[M]- 282.26767 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.