CID 3069311

5-(4-cyclohexylphenyl)-6,8-dioxa-3-azabicyclo(3.2.1)octane hydrochloride

Structural Information

Molecular Formula
C17H23NO2
SMILES
C1CCC(CC1)C2=CC=C(C=C2)C34CNCC(O3)CO4
InChI
InChI=1S/C17H23NO2/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)17-12-18-10-16(20-17)11-19-17/h6-9,13,16,18H,1-5,10-12H2
InChIKey
VEILQBRMXYTWED-UHFFFAOYSA-N
Compound name
5-(4-cyclohexylphenyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.17288 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 166.7
[M+Na]+ 296.16210 178.0
[M+NH4]+ 291.20670 177.6
[M+K]+ 312.13604 170.8
[M-H]- 272.16560 173.8
[M+Na-2H]- 294.14755 171.9
[M]+ 273.17233 170.4
[M]- 273.17343 170.4
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.