CID 3061085

N,n,n-trimethyl-2-oxo-4-phenyl-1-oxaspiro(4.5)decane-3-methanaminium iodide

Structural Information

Molecular Formula
C19H28NO2
SMILES
C[N+](C)(C)CC1C(C2(CCCCC2)OC1=O)C3=CC=CC=C3
InChI
InChI=1S/C19H28NO2/c1-20(2,3)14-16-17(15-10-6-4-7-11-15)19(22-18(16)21)12-8-5-9-13-19/h4,6-7,10-11,16-17H,5,8-9,12-14H2,1-3H3/q+1
InChIKey
AQHNNUNIAIYNHV-UHFFFAOYSA-N
Compound name
trimethyl-[(2-oxo-4-phenyl-1-oxaspiro[4.5]decan-3-yl)methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.212 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.21928 172.5
[M+Na]+ 325.20122 176.5
[M-H]- 301.20472 182.3
[M+NH4]+ 320.24582 190.3
[M+K]+ 341.17516 169.0
[M+H-H2O]+ 285.20926 168.2
[M+HCOO]- 347.21020 190.2
[M+CH3COO]- 361.22585 200.9
[M+Na-2H]- 323.18667 178.1
[M]+ 302.21145 167.8
[M]- 302.21255 167.8
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.