CID 4352001

N-(9,9-ethylenedioxybicyclo(3.3.1)nonan-2-yl)-n-methylmorpholinium iodide

Structural Information

Molecular Formula
C16H28NO3
SMILES
C[N+]1(CCOCC1)C2CCC3CCCC2C34OCCO4
InChI
InChI=1S/C16H28NO3/c1-17(7-9-18-10-8-17)15-6-5-13-3-2-4-14(15)16(13)19-11-12-20-16/h13-15H,2-12H2,1H3/q+1
InChIKey
VRVCNBSRFRKSAW-UHFFFAOYSA-N
Compound name
4-methyl-4-spiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]nonane]-2'-ylmorpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.2069 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.21418 165.4
[M+Na]+ 305.19612 167.0
[M-H]- 281.19962 172.3
[M+NH4]+ 300.24072 181.8
[M+K]+ 321.17006 162.3
[M+H-H2O]+ 265.20416 159.8
[M+HCOO]- 327.20510 172.4
[M+CH3COO]- 341.22075 190.1
[M+Na-2H]- 303.18157 171.0
[M]+ 282.20635 156.2
[M]- 282.20745 156.2
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

No patent data available for this compound.