CID 3061083

N,n,n-trimethyl-2-oxo-4-phenyl-1-oxaspiro(4.4)nonane-3-methanaminium iodide

Structural Information

Molecular Formula
C18H26NO2
SMILES
C[N+](C)(C)CC1C(C2(CCCC2)OC1=O)C3=CC=CC=C3
InChI
InChI=1S/C18H26NO2/c1-19(2,3)13-15-16(14-9-5-4-6-10-14)18(21-17(15)20)11-7-8-12-18/h4-6,9-10,15-16H,7-8,11-13H2,1-3H3/q+1
InChIKey
ALZAVPOTBSVHSI-UHFFFAOYSA-N
Compound name
trimethyl-[(2-oxo-4-phenyl-1-oxaspiro[4.4]nonan-3-yl)methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.19635 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.20363 168.6
[M+Na]+ 311.18557 173.9
[M-H]- 287.18907 179.1
[M+NH4]+ 306.23017 188.9
[M+K]+ 327.15951 166.6
[M+H-H2O]+ 271.19361 165.6
[M+HCOO]- 333.19455 188.9
[M+CH3COO]- 347.21020 197.7
[M+Na-2H]- 309.17102 173.6
[M]+ 288.19580 165.9
[M]- 288.19690 165.9
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.