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]+ 274.180156 163.3
[M+Na]+ 296.162098 166.3
[M-H]- 272.165604 169.1
[M+NH4]+ 291.206703 179.0
[M+K]+ 312.136038 163.9
[M+H-H2O]+ 256.170140 155.0
[M+HCOO]- 318.171081 174.0
[M+CH3COO]- 332.186731 172.5
[M+Na-2H]- 294.147546 167.0
[M]+ 273.17233142 155.7
[M]- 273.17342858 155.7
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.